SCHEMBL7031336

SCHEMBL7031336

Cc1ccc(SC2CCN(CCc3ccc(F)cc3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
HTR2C P28335 3/20 0.45
HTR7 P34969 3/20 0.45
HTR6 P50406 2/20 0.45
HRH3 Q9Y5N1 2/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL7029871 0.85 HTR2A (0.47) HTR2AHTR2CHTR7HTR6
SCHEMBL7029815 0.85 HTR2A (0.47) HTR2AHTR2CHTR7HTR6HRH3
SCHEMBL7028587 0.85 HTR2A (0.49) HTR2AHTR2C
SCHEMBL7031328 0.83 HTR2A (0.49) HTR2AHTR2CHTR7HTR6SLC6A4
SCHEMBL7032576 0.83 HRH3 (0.51) HTR2AHTR2CHTR7HTR6HRH3
SCHEMBL7026523 0.81 HTR1A (0.40) HTR2AHTR2CHTR1ASLC6A4
SCHEMBL7027592 0.79 HTR2A (0.45) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL7026680 0.78 HTR2A (0.55) HTR2AHTR2CHTR7HTR6
SCHEMBL7023957 0.78 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7028836 0.77 HTR1A (0.56) HTR2AHTR2CHRH3HTR1ASLC6A4

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 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.