SCHEMBL3191532

SCHEMBL3191532

CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 2/20 0.67
▸ TAAR1 Q96RJ0 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ AOC3 Q16853 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CXCR3 P49682 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ DAO P14920 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22304838 0.93 PYCR1 (0.60) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL13232509 0.91 PYCR1 (0.58) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL21268450 0.91 ALDH1A1 (0.63) PYCR1ALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL3240150 0.89 PYCR1 (0.56) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL3153174 0.89 PYCR1 (0.56) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL171946 0.88 PYCR1 (0.60) PYCR1TAAR1ALDH1A1NPC1AOC3
Hydrochloric Acid SCHEMBL27258921 0.86 PYCR1 (0.58) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL3339451 0.86 PYCR1 (0.58) PYCR1TAAR1ALDH1A1NPC1AOC3
SCHEMBL13889677 0.84 TAAR1 (0.61) PYCR1TAAR1ALDH1A1AOC3KDM4E
SCHEMBL15308539 0.84 PYCR1 (0.56) PYCR1TAAR1ALDH1A1AOC3KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200044154-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT PRODUCTION METHOD HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-06 — — US disclosed
US-9573888-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-02-21 — — US disclosed
US-20160168083-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-06-16 — — US disclosed
US-9296728-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-29 — — US disclosed
US-20140371272-A1 THERAPEUTIC COMPOUNDS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2014-12-18 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 — — US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 — — US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 — — US disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 — — US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 — — EP disclosed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 — — US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 — — WO disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 — — EP disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371272-A1 THERAPEUTIC COMPOUNDS HLA-DRB1, SLC10A1, NFATC1 PYCR1 877/4885TAAR1 2693/4885ALDH1A1 266/4885
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR PYCR1 418/4885TAAR1 4135/4885ALDH1A1 1888/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 PYCR1 498/4885TAAR1 3757/4885ALDH1A1 3219/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 PYCR1 498/4885TAAR1 3757/4885ALDH1A1 3219/4885
US-20160168083-A1 THERAPEUTIC COMPOUNDS HLA-DRB1, SLC10A1, NFATC1 PYCR1 1031/4885TAAR1 2704/4885ALDH1A1 359/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 PYCR1 498/4885TAAR1 3757/4885ALDH1A1 3219/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 PYCR1 498/4885TAAR1 3757/4885ALDH1A1 3219/4885
US-20200044154-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT PRODUCTION METHOD ARF1, SLC43A1, RIF1 PYCR1 3503/4885TAAR1 2140/4885ALDH1A1 278/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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