SCHEMBL7025973

SCHEMBL7025973

Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.50
HTR2C P28335 9/20 0.50
KCNH2 Q12809 6/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR7 P34969 3/20 0.46
HTR6 P50406 2/20 0.46
DRD2 P14416 3/20 0.46
EPHX2 P34913 1/20 0.43
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
SCHEMBL7028921 0.87 HTR2A (0.53) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7030438 0.86 HTR2A (0.56) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7024940 0.86 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2
SCHEMBL7022479 0.83 HTR2A (0.63) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7031952 0.83 HTR2A (0.63) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7029601 0.82 KCNH2 (0.54) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL7027787 0.80 HTR2A (0.54) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7024062 0.79 HTR2A (0.70) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7023723 0.79 HTR2A (0.59) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7023864 0.78 HTR1A (0.54) HTR2AHTR2CKCNH2MEN1KMT2A

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 5/4885KCNH2 914/4885

“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.