SCHEMBL12636628

SCHEMBL12636628

CC(C)(C)C(=O)c1sc2c3c1CCC3CNCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL3004597 0.75 PNMT (0.32) PNMT
SCHEMBL1182103 0.74 HTR2C (0.33) PNMT
SCHEMBL3004504 0.71
SCHEMBL12636623 0.71 HTR2A (0.30)
SCHEMBL1181833 0.69 ITGB3 (0.34) PNMT
SCHEMBL1181972 0.68 PNMT (0.31) PNMT
SCHEMBL12872098 0.68
SCHEMBL1181211 0.61 PNMT (0.43) PNMT
SCHEMBL1181213 0.61 PNMT (0.43) PNMT
SCHEMBL12636697 0.58 HTR2C (0.36)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 PNMT 50/4885
US-20140206672-A1 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR5A, HTR2A PNMT 50/4885
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof HTR2C, HTR5A, HTR2A PNMT 50/4885

“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.