SCHEMBL1181972

SCHEMBL1181972

CC(C)(C)C(=O)c1sc2c(c1Cl)CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL1181833 0.83 ITGB3 (0.34) PNMT
SCHEMBL14452989 0.78 PNMT (0.33) PNMT
SCHEMBL2989319 0.72 PNMT (0.34) PNMTHTR2AHTR2CHTR2B
SCHEMBL13266269 0.71 PNMT (0.39) PNMTHTR2AHTR2CHTR2B
SCHEMBL3004417 0.70 HTR2A (0.42) PNMTHTR2AHTR2CHTR2B
SCHEMBL3000284 0.69 PNMT (0.40) PNMTHTR2AHTR2CHTR2B
SCHEMBL7796179 0.69 ADORA1 (0.45) PNMT
Hydrochloric Acid SCHEMBL2994345 0.68 HTR2A (0.41) PNMTHTR2AHTR2CHTR2B
SCHEMBL12636628 0.68 PNMT (0.31) PNMT
SCHEMBL1182103 0.68 HTR2C (0.33) PNMTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893051-B2 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. (US) 2011-02-22 US claimed
EP-1981337-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF Athersys, Inc. (US) 2008-10-22 EP claimed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US claimed
WO-2007084622-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS, INC. (US) 2007-07-26 WO claimed
EP-1981337-B1 THIOPHENYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS INC (US) 2015-09-02 EP disclosed
EP-1981337-B1 THIOPHENYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS INC (US) 2015-09-02 EP disclosed
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-8716276-B2 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2C receptor ligands and uses thereof ATHERSYS, INC. (US) 2014-05-06 US disclosed
US-20110112072-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF TUMEY L NATHAN 2011-05-12 US disclosed
US-20110112072-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF TUMEY L NATHAN 2011-05-12 US disclosed
US-7893051-B2 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. (US) 2011-02-22 US disclosed
US-7893051-B2 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. (US) 2011-02-22 US disclosed
EP-1981337-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF Athersys, Inc. (US) 2008-10-22 EP disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
WO-2007084622-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS, INC. (US) 2007-07-26 WO disclosed
WO-2007084622-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS, INC. (US) 2007-07-26 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 (3 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-20110112072-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR5A, HTR2A PNMT 50/4885HTR2A 3/4885HTR2C 1/4885
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR5A, HTR2A PNMT 50/4885HTR2A 3/4885HTR2C 1/4885
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof HTR2C, HTR5A, HTR2A PNMT 50/4885HTR2A 3/4885HTR2C 1/4885

“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.