SCHEMBL7084339

SCHEMBL7084339

CCOc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CI)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.63
OPRM1 P35372 4/20 0.53
TMEM97 Q5BJF2 2/20 0.53
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GPR183 P32249 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
APLNR P35414 1/20 0.48
DRD3 P35462 1/20 0.48
CX3CR1 P49238 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL7089476 0.90 OPRM1 (0.56) HTR2AOPRM1TMEM97
SCHEMBL342280 0.89 HTR2A (0.78) HTR2AOPRM1ABCB11CYP1A2ADRB2
SCHEMBL7084399 0.87 OPRM1 (0.54) HTR2AOPRM1TMEM97
SCHEMBL341230 0.83 HTR2A (0.58) HTR2AOPRM1TMEM97
SCHEMBL340357 0.82 HTR2A (0.79) HTR2AOPRM1ABCB11CYP1A2ADRB2
SCHEMBL340553 0.82 HTR2A (0.73) HTR2AOPRM1ABCB11CYP1A2ADRB2
Oxalic Acid SCHEMBL10322235 0.81 HTR2A (0.56) HTR2AOPRM1TMEM97
SCHEMBL9994976 0.81 OPRM1 (0.71) OPRM1TMEM97
SCHEMBL5354436 0.81 HTR2A (0.55) HTR2AOPRM1TMEM97
SCHEMBL20766053 0.80 HTR2A (0.67) HTR2AOPRM1ABCB11CYP1A2ADRB2

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 10/4885OPRM1 210/4885TMEM97 325/4885

“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.