Sugi Predict

Sugi Predict / Compounds / SCHEMBL1875436

SCHEMBL1875436

SCHEMBL1875436

c1ccc(COCC2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.65
▸ CYP2C19 P33261 3/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 1/20 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
SCHEMBL2873528 1.00 LTA4H (0.65) LTA4HCYP2C19SIGMAR1CTSLCTSB
SCHEMBL1875435 1.00 LTA4H (0.65) LTA4HCYP2C19SIGMAR1CTSLCTSB
SCHEMBL6721328 0.91 LTA4H (0.65) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL15073001 0.88 LTA4H (0.51) LTA4HCYP2C19SIGMAR1CTSLCTSB
SCHEMBL10681787 0.88 LTA4H (0.64) LTA4HCYP2C19SIGMAR1ALDH1A1CYP1A2
SCHEMBL946497 0.84 LTA4H (0.67) LTA4HCYP2C19SIGMAR1ALDH1A1CYP1A2
SCHEMBL20873352 0.84 LTA4H (0.47) LTA4HCYP2C19CTSLCTSBCTSK
SCHEMBL20873354 0.84 LTA4H (0.47) LTA4HCYP2C19CTSLCTSBCTSK
SCHEMBL12879099 0.84 LTA4H (0.67) LTA4HCYP2C19SIGMAR1ALDH1A1CYP1A2
SCHEMBL946495 0.84 LTA4H (0.67) LTA4HCYP2C19SIGMAR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 — — US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 — — EP claimed
CN-102060809-B Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2015-05-20 — — CN disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 — — US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 — — EP disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
CN-101638423-B Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES INST CO LTD OF CHANGZHOU HIGH TECH IND DEV ZONE 2012-09-05 — — CN disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 — — US disclosed
CN-102060809-A Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2011-05-18 — — CN disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
CN-1852712-A Dual NK1/NK3 antagonists for treating schizophrenia HOFFMANN LA ROCHE (CH) 2006-10-25 — — CN disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 — — EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 — — US disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 — — US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 — — US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — WO disclosed
US-20050090533-A1 Dual NK1/NK3 receptor antagonists F. HOFMANN-LA ROCHE AG (CH) 2005-04-28 — — US disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 — — US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 — — EP 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 (5 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-20050090533-A1 Dual NK1/NK3 receptor antagonists TACR2, TAC3, TACR1 LTA4H 1010/4885CYP2C19 1692/4885SIGMAR1 336/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 LTA4H 1010/4885CYP2C19 1692/4885SIGMAR1 336/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 LTA4H 406/4885CYP2C19 4113/4885SIGMAR1 344/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 LTA4H 406/4885CYP2C19 4113/4885SIGMAR1 344/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 LTA4H 279/4885CYP2C19 4206/4885SIGMAR1 342/4885

“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.