SCHEMBL1906313

SCHEMBL1906313

CCN(C)c1ccc(C(=O)O)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.77
P4HA1 P13674 2/20 0.53
P4HTM Q9NXG6 2/20 0.53
MAPT P10636 1/20 0.51
HCAR2 Q8TDS4 1/20 0.50
RXRA P19793 5/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
AOC3 Q16853 1/20 0.48
MIF P14174 1/20 0.47
LDHA P00338 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL26835770 0.88 HCAR3 (0.59) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL4547078 0.85 HCAR3 (0.56) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL13611416 0.84 HCAR3 (0.76) HCAR3P4HA1P4HTMMAPTHCAR2
Hydrochloric Acid SCHEMBL27869687 0.83 HCAR3 (0.73) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL31737249 0.82 HCAR3 (0.66) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL11565561 0.82 HCAR3 (0.66) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL185127 0.82 HCAR3 (0.65) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL11565320 0.81 HCAR3 (0.64) HCAR3P4HA1P4HTMMAPTRXRA
SCHEMBL24422211 0.80 HCAR3 (0.71) HCAR3P4HA1P4HTMMAPTHCAR2
SCHEMBL8595311 0.79 HCAR3 (0.61) HCAR3P4HA1P4HTMMAPTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
US-7935825-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2011-05-03 US disclosed
EP-1436264-B1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN INC (US) 2008-12-31 EP disclosed
US-20070219255-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain BURK ROBERT M 2007-09-20 US disclosed
US-7214678-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2007-05-08 US disclosed
US-20060217349-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2006-09-28 US disclosed
US-7098223-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2005-02-10 US disclosed
US-6825221-B2 PROSTAGLANDIN INHIBITORS FOR TREATING RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POST-OPERATIVE PAIN, PAIN ASSOCIATED WITH DENTAL ALLERGAN, INC. 2004-11-30 US disclosed
EP-1436264-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN Allergan, Inc. (US) 2004-07-14 EP disclosed
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2003-04-24 US disclosed
WO-2003033470-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN, INC. (US) 2003-04-24 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 (9 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-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR CCNK, CDK1, CDKN1A HCAR3 2651/4885P4HA1 1222/4885P4HTM 1437/4885
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885P4HA1 260/4885P4HTM 727/4885
US-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 HCAR3 3378/4885P4HA1 37/4885P4HTM 337/4885
US-20070219255-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 HCAR3 195/4885P4HA1 412/4885P4HTM 1460/4885
US-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 HCAR3 4031/4885P4HA1 185/4885P4HTM 1056/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885P4HA1 260/4885P4HTM 727/4885
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 HCAR3 195/4885P4HA1 412/4885P4HTM 1460/4885
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRD1, OPRK1, OPRL1 HCAR3 462/4885P4HA1 718/4885P4HTM 3033/4885
US-20060217349-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 HCAR3 195/4885P4HA1 412/4885P4HTM 1460/4885

“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.