SCHEMBL12636616

SCHEMBL12636616

CCS(=O)(=O)c1cc2c(s1)CCNCC2C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.43
HTR2A P28223 18/20 0.43
HTR2B P41595 17/20 0.43
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2994718 0.77 HTR2C (0.56) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1181609 0.75 HTR2C (0.40) HTR2CHTR2BADRA2AADRA2BADRA2C
SCHEMBL13881344 0.74 PNMT (0.50) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL2998073 0.74 HTR2A (0.53) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL12538786 0.71 HTR2C (0.44) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1181171 0.70 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL1181211 0.69 PNMT (0.43) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1181213 0.69 PNMT (0.43) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL5086491 0.64 HTR2C (0.51) HTR2CHTR2AHTR2BADRB1HTR1A
Lorcaserin SCHEMBL173627 0.62 HTR2C (0.83) HTR2CHTR2AHTR2BADRB1HTR1A

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 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.