SCHEMBL7030736

SCHEMBL7030736

[O-][S+](c1cccc(Cl)c1Cl)C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 2/20 0.46
GRM2 Q14416 2/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7026063 0.92 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7031674 0.83 HTR2A (0.47) HTR2AHTR2CHTR7HTR6
SCHEMBL7023967 0.82 HTR2A (0.44) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7026004 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6
SCHEMBL7033457 0.81 HTR2A (0.48) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL7029662 0.81 HTR2A (0.53) HTR2AHTR2CGRM2KCNH2
SCHEMBL7026722 0.80 OPRM1 (0.47) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7027090 0.79 HTR2A (0.52) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7027799 0.79 HTR2A (0.47) HTR2AHTR2CHTR7HTR6KCNJ1
SCHEMBL7026567 0.79 HTR2A (0.46) HTR2AHTR2CHTR7HTR6KCNH2

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 4 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
CN-1394203-A As 5-HT2APiperidine and piperazine derivatives of receptor antagonists MERCK PATENT GMBH (DE) 2003-01-29 CN 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.