SCHEMBL7032798

SCHEMBL7032798

[O-][S+](c1ccccc1)C1CCN(CCc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
ACHE P22303 1/20 0.48
CCR3 P51677 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 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
SCHEMBL7025966 0.87 HRH3 (0.49) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7025855 0.85 HTR2A (0.47) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7023032 0.84 HTR2A (0.49) ACHEHTR2AHTR2C
SCHEMBL7029996 0.81 KCNH2 (0.45) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7025832 0.79 EBP (0.43) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7027090 0.77 HTR2A (0.52) HTR2AHTR2CKCNH2
SCHEMBL4172158 0.76 TDP1 (0.72) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL16026648 0.73 HRH3 (0.84) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7031177 0.73 HTR2A (0.45) HTR2AHTR2CKCNH2
SCHEMBL17828188 0.72 HRH3 (0.70) HRH3TDP1L3MBTL1CYP1A2CYP3A4

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 HRH3 142/4885TDP1 895/4885L3MBTL1 3306/4885

“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.