SCHEMBL2989319

SCHEMBL2989319

CC(C)(C)c1sc2c(c1Cl)CCNCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.34
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
HTR2B P41595 6/20 0.33

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
SCHEMBL2994498 0.82 PNMT (0.30) PNMT
SCHEMBL3000350 0.82 HTR2A (0.35) PNMTHTR2AHTR2CHTR2B
SCHEMBL2992619 0.80 PNMT (0.33) PNMT
SCHEMBL13266269 0.77 PNMT (0.39) PNMTHTR2AHTR2CHTR2B
SCHEMBL2994722 0.76 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL3000284 0.75 PNMT (0.40) PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2991349 0.73 PNMT (0.39) PNMTHTR2AHTR2CHTR2B
SCHEMBL1181972 0.72 PNMT (0.31) PNMTHTR2AHTR2CHTR2B
SCHEMBL3004417 0.72 HTR2A (0.42) PNMTHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2994345 0.70 HTR2A (0.41) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
EP-1778243-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-05-02 EP disclosed
WO-2006004931-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-01-12 WO disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 US 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 (2 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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 PNMT 89/4885HTR2A 6/4885HTR2C 5/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C PNMT 70/4885HTR2A 5/4885HTR2C 3/4885

“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.