SCHEMBL1182103

SCHEMBL1182103

CC1CNCCc2sc(C(=O)C(C)(C)C)c(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.33
HTR2A P28223 5/20 0.33
HTR2B P41595 4/20 0.33
PNMT P11086 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
SCHEMBL3005460 0.75 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL12636628 0.74 PNMT (0.31) PNMT
SCHEMBL12636668 0.71 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL1181213 0.69 PNMT (0.43) HTR2CHTR2AHTR2BPNMT
SCHEMBL1181999 0.69 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL1181211 0.69 PNMT (0.43) HTR2CHTR2AHTR2BPNMT
SCHEMBL3004353 0.68 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL1181972 0.68 PNMT (0.31) HTR2CHTR2AHTR2BPNMT
SCHEMBL1181833 0.66 ITGB3 (0.34) PNMT
SCHEMBL2989627 0.63 HTR2C (0.47) HTR2CHTR2AHTR2B

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 18 patents. 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
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US 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-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
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-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

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 HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885

“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.