SCHEMBL7034085

SCHEMBL7034085

[O-][S+](c1cccc2cccnc12)C1CCN(CCc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
KMT2A Q03164 2/20 0.36
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
CASP6 P55212 1/20 0.36
EPHX2 P34913 3/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 1/20 0.35
PRCP P42785 1/20 0.35

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
SCHEMBL7502546 0.82 MAOA (0.39) MAOBMAOAARG1ARG2BCHE
SCHEMBL7027729 0.79 HRH3 (0.48) ACHEDRD2DRD4
SCHEMBL7031480 0.78 PRCP (0.41) KMT2AMEN1DRD2DRD3PRCP
SCHEMBL7026575 0.77 HTR7 (0.46) KMT2AMEN1DRD2CYP2C19HTR7
SCHEMBL7501989 0.70 HTR2A (0.52) EPHX2DRD2HTR7HTR6
SCHEMBL7024620 0.69 P2RX7 (0.46) KMT2AP2RX7ALDH1A1MEN1DRD2
SCHEMBL7028441 0.68 HTR2A (0.54) KMT2AP2RX7MEN1DRD2CYP2C19
SCHEMBL7023967 0.67 HTR2A (0.44) DRD2DRD3HTR7HTR6L3MBTL1
SCHEMBL27666200 0.66 KDM4E (0.60) KMT2AP2RX7ALDH1A1DRD2DRD4
SCHEMBL17696068 0.65 F10 (0.46) ALDH1A1EPHX2

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 MAOB 516/4885MAOA 538/4885ARG1 389/4885

“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.