SCHEMBL7029637

SCHEMBL7029637

Cc1ccc([S+]([O-])C2CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
HRH1 P35367 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7027090 0.94 HTR2A (0.52) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7030060 0.90 HTR2A (0.47) HRH3HTR2AHTR2CHTR7HTR6
SCHEMBL7030755 0.88 SIGMAR1 (0.50) HTR2AHTR2CHTR7HTR6
SCHEMBL7031770 0.88 HTR2A (0.50) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7023032 0.87 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7020892 0.87 SIGMAR1 (0.55) HRH3HTR2AHTR2CHTR7HTR6
SCHEMBL7031177 0.85 HTR2A (0.45) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7025966 0.85 HRH3 (0.49) HRH3HRH1CA12CA1CA2
SCHEMBL7025855 0.85 HTR2A (0.47) HRH3HTR2AHTR2CHTR7HTR6
SCHEMBL7028534 0.85 HTR2A (0.57) HTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US claimed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP claimed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO claimed
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
CN-1394203-A As 5-HT2APiperidine and piperazine derivatives of receptor antagonists MERCK PATENT GMBH (DE) 2003-01-29 CN disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 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 (1 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A HRH3 142/4885HTR2A 1/4885HTR2C 5/4885

“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.