SCHEMBL7026575

SCHEMBL7026575

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.46
HTR6 P50406 2/20 0.46
HTR2A P28223 7/20 0.46
HTR2C P28335 6/20 0.46
DRD2 P14416 3/20 0.46
KCNH2 Q12809 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
SLC40A1 Q9NP59 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 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
SCHEMBL7028441 0.91 HTR2A (0.54) HTR7HTR2AHTR2CDRD2KCNH2
SCHEMBL7501989 0.82 HTR2A (0.52) HTR7HTR6HTR2AHTR2CDRD2
SCHEMBL7023970 0.79 KMT2A (0.48) HTR7HTR6HTR2AHTR2CDRD2
SCHEMBL7031745 0.78 HTR2A (0.49) HTR7HTR6HTR2AHTR2CDRD2
SCHEMBL7034085 0.77 MAOB (0.39) HTR7HTR6DRD2KMT2AMEN1
SCHEMBL7551148 0.73 HTR2A (0.57) HTR7HTR6HTR2AHTR2CDRD2
SCHEMBL7024620 0.69 P2RX7 (0.46) HTR2AHTR2CDRD2KCNH2KMT2A
SCHEMBL7502546 0.69 MAOA (0.39) HTR7HTR6DRD2KCNH2SMN1; SMN2
SCHEMBL8485302 0.68 MAPK1 (0.53) HTR6HTR2AHTR2CKMT2AMEN1
SCHEMBL7027787 0.67 HTR2A (0.54) HTR7HTR6HTR2AHTR2CDRD2

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 HTR7 19/4885HTR6 57/4885HTR2A 1/4885

“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.