SCHEMBL1433477

SCHEMBL1433477

CC(=O)N1CCN(c2cccnc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
ROCK1 Q13464 1/20 0.53
CYP17A1 P05093 3/20 0.53
CYP21A2 P08686 3/20 0.53
CYP11B1 P15538 3/20 0.53
CASP6 P55212 1/20 0.53
GFER P55789 1/20 0.53
GPR119 Q8TDV5 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ADAMTS5 Q9UNA0 2/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
NAMPT P43490 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL30663952 1.00 TRPV1 (0.54) TRPV1ROCK1CYP17A1CYP21A2CYP11B1
SCHEMBL27781454 0.87 TRPV1 (0.56) TRPV1ROCK1GPR119ALDH1A1ADAMTS5
SCHEMBL1981285 0.85 TRPV1 (0.55) TRPV1ROCK1GPR119ALDH1A1ADAMTS5
SCHEMBL28550411 0.84 HTR1A (0.56) TRPV1ROCK1GPR119ALDH1A1ADAMTS5
SCHEMBL18997473 0.83 GPR119 (0.55) TRPV1GPR119ALDH1A1ADAMTS5CHRNB2
SCHEMBL19001331 0.83 ADAMTS5 (0.58) TRPV1GPR119ALDH1A1ADAMTS5CHRNB2
SCHEMBL4546646 0.83 TRPV1 (0.54) TRPV1ROCK1GPR119ALDH1A1ADAMTS5
SCHEMBL5387067 0.80 CHRNB2 (0.55) TRPV1ROCK1GPR119ADAMTS5CHRNB2
SCHEMBL5175788 0.80 HRH3 (0.51) TRPV1GPR119ALDH1A1ADAMTS5CHRNB2
SCHEMBL30663947 0.80 CYP2C9 (0.52) TRPV1GPR119ALDH1A1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-2300430-B1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-08-12 EP disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 EP disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed
WO-2009099163-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-08-13 WO disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 TRPV1 2049/4885ROCK1 2635/4885CYP17A1 2928/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 TRPV1 2049/4885ROCK1 2635/4885CYP17A1 2928/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN TRPV1 3031/4885ROCK1 120/4885CYP17A1 3555/4885
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CSNK1A1, CSK, CSNK1A1L TRPV1 4361/4885ROCK1 838/4885CYP17A1 678/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD TRPV1 4736/4885ROCK1 3632/4885CYP17A1 787/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN TRPV1 3031/4885ROCK1 120/4885CYP17A1 3555/4885

“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.