SCHEMBL172953

SCHEMBL172953

Ic1ccccc1N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
MAPK1 P28482 3/20 0.55
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ADRA1A P35348 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ALOX12 P18054 1/20 0.43
MAP2K1 Q02750 1/20 0.43
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL19510747 0.98 KEAP1 (0.54) KEAP1MAPK1GAANPC1HPGD
SCHEMBL30350850 0.98 KEAP1 (0.54) KEAP1MAPK1GAANPC1HPGD
SCHEMBL27934132 0.83 MAPK1 (0.74) KEAP1MAPK1GAANPC1HPGD
SCHEMBL26219177 0.80 MAPK1 (0.70) KEAP1MAPK1GAANPC1HPGD
SCHEMBL23277135 0.78 ADRB1 (0.57) ALDH1A1HTTLMNA
SCHEMBL1809115 0.78 ADRB1 (0.62) HPGDALDH1A1MAPTTSHRHTR6
SCHEMBL9579357 0.78 MGLL (0.39) KEAP1MAPK1GAAADRA1AMGLL
SCHEMBL29426367 0.78 ADRA2C (0.60) MAPK1MAPTEGFRPOLBKMT2A
SCHEMBL172780 0.78 LMNA (0.52) GAANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL1810237 0.78 ADRA2C (0.60) MAPK1MAPTEGFRPOLBKMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914635-A1 DIHYDROXY LACTAM BASED POLYMERS, COMPOSITIONS AND APPLICATIONS THEREOF ISP Investments LLC (US) 2021-12-01 EP disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
WO-2020154471-A1 DIHYDROXY LACTAM BASED POLYMERS, COMPOSITIONS AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2020-07-30 WO disclosed
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2020-03-03 US disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2019-02-07 US disclosed
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2018-11-06 US disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
WO-2015195486-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2015-12-23 WO disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US 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 (6 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA KEAP1 1098/4885MAPK1 2047/4885GAA 2392/4885
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 KEAP1 910/4885MAPK1 675/4885GAA 3239/4885
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 KEAP1 910/4885MAPK1 675/4885GAA 3239/4885
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 KEAP1 910/4885MAPK1 675/4885GAA 3239/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KEAP1 1677/4885MAPK1 2746/4885GAA 1413/4885
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 KEAP1 910/4885MAPK1 675/4885GAA 3239/4885

“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.