SCHEMBL7028534

SCHEMBL7028534

CC(=O)c1ccc([S+]([O-])C2CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.57
HTR2C P28335 4/20 0.57
HTR7 P34969 4/20 0.57
HTR6 P50406 3/20 0.57
CCR3 P51677 1/20 0.46
OPRM1 P35372 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
GRM2 Q14416 1/20 0.44
CACNA1G O43497 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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 0.88 HTR2A (0.52) HTR2AHTR2CHTR7HTR6
SCHEMBL7029637 0.85 HRH3 (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7030060 0.85 HTR2A (0.47) HTR2AHTR2CHTR7HTR6
SCHEMBL7031770 0.85 HTR2A (0.50) HTR2AHTR2CHTR7HTR6
SCHEMBL7030755 0.83 SIGMAR1 (0.50) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL27568470 0.82 HTR2A (0.47) HTR2AHTR2CHTR7HTR6
SCHEMBL7023032 0.82 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7020892 0.82 SIGMAR1 (0.55) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL7031177 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7025855 0.80 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CYP1A2

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 4 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 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 HTR2A 1/4885HTR2C 5/4885HTR7 19/4885

“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.