SCHEMBL7030971

SCHEMBL7030971

N#Cc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.73
KCNH2 Q12809 13/20 0.73
HTR2C P28335 12/20 0.73
KCNJ1 P48048 2/20 0.55
DRD2 P14416 6/20 0.53
PRKAA2 P54646 1/20 0.51
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50

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
SCHEMBL7024062 0.90 HTR2A (0.70) HTR2AKCNH2HTR2CKCNJ1DRD2
SCHEMBL6586485 0.84 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL7022479 0.84 HTR2A (0.63) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7027981 0.84 HTR2A (0.71) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7035227 0.84 HTR2A (0.63) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7029502 0.84 HTR2A (0.82) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7025260 0.82 HTR2A (0.61) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7034106 0.82 HTR2A (0.62) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL6587217 0.82 HTR2A (0.57) HTR2AKCNH2HTR2CDRD2HTR7
SCHEMBL7029989 0.81 KCNH2 (0.63) HTR2AKCNH2HTR2CKCNJ1DRD2

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 1/4885KCNH2 914/4885HTR2C 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.