SCHEMBL7030823

SCHEMBL7030823

O=S(=O)(c1nc2ccccc2[nH]1)C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.50
HTR2A P28223 5/20 0.50
HTR2C P28335 4/20 0.50
DRD2 P14416 1/20 0.45
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 1/20 0.44
SSTR5 P35346 1/20 0.44
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
NR4A2 P43354 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
SCHEMBL7025543 0.84 HTR2A (0.52) KCNH2HTR2AHTR2CDRD2CHRNA7
SCHEMBL7028380 0.79 HTR2A (0.52) KCNH2HTR2AHTR2CDRD2SSTR5
SCHEMBL7029502 0.77 HTR2A (0.82) KCNH2HTR2AHTR2CDRD2HTR7
SCHEMBL7027578 0.77 KCNH2 (0.50) KCNH2HTR2AHTR2CDRD2SSTR5
SCHEMBL7108529 0.77 HTR2A (0.55) KCNH2HTR2AHTR2CDRD2HTR7
SCHEMBL7033963 0.77 RAB9A (0.52) KCNH2CHRNA7SSTR5NR4A2
SCHEMBL7031444 0.76 KCNH2 (0.51) KCNH2HTR2AHTR2CDRD2HTR7
SCHEMBL7024062 0.76 HTR2A (0.70) KCNH2HTR2AHTR2CDRD2HTR7
SCHEMBL7023723 0.75 HTR2A (0.59) KCNH2HTR2AHTR2CDRD2HTR7
SCHEMBL7031756 0.75 HTR2A (0.55) KCNH2HTR2AHTR2CDRD2HTR7

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 KCNH2 914/4885HTR2A 1/4885HTR2C 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.