SCHEMBL7028441

SCHEMBL7028441

O=S(=O)(c1cccc2cccnc12)C1CCN(CCc2ccc(F)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.54
HTR2C P28335 13/20 0.54
KCNH2 Q12809 8/20 0.52
DRD2 P14416 5/20 0.52
P2RX7 Q99572 1/20 0.47
FABP1 P07148 2/20 0.45
HTR7 P34969 3/20 0.44
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL7026575 0.91 HTR7 (0.46) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7031745 0.84 HTR2A (0.49) HTR2AHTR2CKCNH2DRD2FABP1
SCHEMBL7551148 0.83 HTR2A (0.57) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7024620 0.79 P2RX7 (0.46) HTR2AHTR2CKCNH2DRD2P2RX7
SCHEMBL7023970 0.78 KMT2A (0.48) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7025543 0.74 HTR2A (0.52) HTR2AHTR2CKCNH2DRD2KMT2A
SCHEMBL12477687 0.74 PKLR (0.56)
SCHEMBL7501989 0.73 HTR2A (0.52) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7032872 0.73 HTR2A (0.77) HTR2AHTR2CKCNH2DRD2
SCHEMBL7497311 0.72 CNR1 (0.42) HTR2AHTR2CKCNH2DRD2P2RX7

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.