SCHEMBL7023970

SCHEMBL7023970

O=S(=O)(c1cccc2cccnc12)C1CCN(CCc2ccc3ccccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
KCNH2 Q12809 1/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 4/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7031745 0.87 HTR2A (0.49) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL27585447 0.80 HRH3 (0.42) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL7026575 0.79 HTR7 (0.46) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL7034644 0.78 HRH3 (0.51) HRH3HTR2AKCNH2SLC6A4HTR1A
SCHEMBL7028441 0.78 HTR2A (0.54) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL7027729 0.76 HRH3 (0.48) HRH3HTR2AKCNH2SLC6A4HTR1A
SCHEMBL7024111 0.71 HTR2A (0.60) HRH3HTR2AHTR2CKCNH2HTR7
SCHEMBL7026277 0.70 HTR2A (0.53) HTR2AHTR2CKCNH2DRD2CA12
SCHEMBL8485302 0.70 MAPK1 (0.53) KMT2AMEN1HTR2AHTR2CALOX15
SCHEMBL7031756 0.70 HTR2A (0.55) HTR2AHTR2CKCNH2HTR7HTR1A

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 KMT2A 472/4885MEN1 3253/4885CYP3A4 3439/4885

“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.