SCHEMBL21418955

SCHEMBL21418955

c1ccc(C2C[C@]23CCNC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
KDM1A O60341 15/20 0.41
MAOB P27338 14/20 0.41
MAOA P21397 13/20 0.41
OPRD1 P41143 1/20 0.39
OPRM1 P35372 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL23466001 1.00 HTR2A (0.44) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL19629563 1.00 HTR2A (0.44) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL17725095 1.00 HTR2A (0.44) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL17725107 1.00 HTR2A (0.44) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL19629494 1.00 HTR2A (0.44) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL17712743 0.89 OPRM1 (0.45) KDM1AMAOBMAOAOPRD1OPRM1
SCHEMBL17712914 0.89 OPRM1 (0.45) KDM1AMAOBMAOAOPRD1OPRM1
SCHEMBL17713072 0.84 HTR2A (0.43) HTR2AKDM1AMAOBMAOAOPRD1
SCHEMBL21418971 0.82 LIG1 (0.42) HTR2AKDM1AOPRM1
SCHEMBL21418957 0.82 LIG1 (0.42) HTR2AKDM1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US 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 (2 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-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 HTR2A 80/4885KDM1A 3812/4885MAOB 248/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 HTR2A 80/4885KDM1A 3812/4885MAOB 248/4885

“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.