SCHEMBL7136208

SCHEMBL7136208

CCCN1[C@H](C)CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
HSD11B1 P28845 10/20 0.42
OPRM1 P35372 1/20 0.41
NR1H3 Q13133 2/20 0.38
NR1H2 P55055 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 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
SCHEMBL7136213 1.00 DRD2 (0.45) DRD2HSD11B1OPRM1NR1H3NR1H2
SCHEMBL7132219 0.90 HSD11B1 (0.46) DRD2HSD11B1OPRM1NR1H2
SCHEMBL7132216 0.90 HSD11B1 (0.46) DRD2HSD11B1OPRM1NR1H2
SCHEMBL7134138 0.85 DRD2 (0.62) DRD2OPRM1NR1H3NR1H2DRD3
SCHEMBL7134135 0.85 DRD2 (0.62) DRD2OPRM1NR1H3NR1H2DRD3
SCHEMBL7134126 0.85 HSD11B1 (0.40) HSD11B1OPRM1NR1H2
SCHEMBL7134133 0.85 HSD11B1 (0.40) HSD11B1OPRM1NR1H2
SCHEMBL3453542 0.79 DRD2 (0.72) DRD2DRD3
SCHEMBL7132786 0.79 ALDH1A1 (0.55) DRD2OPRM1
SCHEMBL7132782 0.79 ALDH1A1 (0.55) DRD2OPRM1

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
EP-1240141-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2003-11-19 EP disclosed
US-20030109532-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2003-06-12 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 (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-20030109532-A1 Modulators of dopamine neurotransmission OPRD1, CHRNA5, OPRM1 DRD2 12/4885HSD11B1 2821/4885OPRM1 3/4885

“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.