SCHEMBL7033494

SCHEMBL7033494

Cc1ccccc1[S+]([O-])C1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.40
HTR2A P28223 4/20 0.40
DRD2 P14416 2/20 0.40
HRH1 P35367 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
OPRM1 P35372 7/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR2C P28335 1/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7029228 0.89 OPRM1 (0.39) CACNA1GHTR2ADRD2HRH1CARM1
SCHEMBL7032530 0.89 HTR2A (0.52) HTR2ADRD2KCNH2HTR2CACHE
SCHEMBL7026004 0.83 HTR2A (0.45) HTR2AOPRM1HTR2CACHE
SCHEMBL7026552 0.82 HTR2A (0.55) HTR2ADRD2KCNH2HTR2CACHE
SCHEMBL7031674 0.78 HTR2A (0.47) HTR2AOPRM1HTR2CACHE
SCHEMBL7026031 0.77 HTR2A (0.50) HTR2ADRD2OPRM1KCNH2SIGMAR1
SCHEMBL7031032 0.77 KCNH2 (0.51) HTR2ADRD2KCNH2SIGMAR1HTR2C
SCHEMBL7024580 0.76 HTR1A (0.41) HTR2ADRD2HTR1ASLC6A4SIGMAR1
SCHEMBL7026722 0.74 OPRM1 (0.47) HTR2AOPRM1KCNH2HTR2C
SCHEMBL7029919 0.73 KMT2A (0.47) CACNA1GHTR2ADRD2HRH1CARM1

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 3 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
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 CACNA1G 853/4885HTR2A 1/4885DRD2 32/4885

“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.