SCHEMBL7085209

SCHEMBL7085209

COc1ccc(CNC(=O)N(Cc2ccc(C)cc2)C2CCN(CI)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.57
CCR5 P51681 2/20 0.55
HRH3 Q9Y5N1 3/20 0.52
OPRM1 P35372 3/20 0.52
HTR2C P28335 2/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
GPR183 P32249 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
APLNR P35414 1/20 0.52
DRD3 P35462 1/20 0.52
CX3CR1 P49238 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
SCHEMBL342509 0.89 HTR2A (0.72) HTR2ACCR5HRH3OPRM1HTR2C
SCHEMBL341408 0.86 HTR2A (0.57) HTR2ACCR5HRH3OPRM1HTR2C
SCHEMBL3705353 0.86 HTR2A (0.57) HTR2ACCR5HRH3OPRM1HTR2C
SCHEMBL3961952 0.80 HTR2A (0.77) HTR2AHRH3OPRM1HTR2CABCB11
SCHEMBL3037746 0.79 HTR2A (0.82) HTR2AHRH3OPRM1HTR2CABCB11
SCHEMBL7091708 0.79 OPRM1 (0.61) CCR5OPRM1CHRM2MCHR1UBE2M
SCHEMBL4211121 0.79 OPRM1 (0.61) CCR5OPRM1CHRM2MCHR1UBE2M
SCHEMBL25465874 0.79 HTR2A (0.62) HTR2ACCR5HRH3OPRM1HTR2C
Hydrochloric Acid SCHEMBL4207721 0.78 OPRM1 (0.60) CCR5OPRM1CHRM2MCHR1UBE2M
Oxalic Acid SCHEMBL4208908 0.78 OPRM1 (0.59) CCR5OPRM1CHRM2MCHR1UBE2M

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed

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-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885CCR5 935/4885HRH3 194/4885

“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.