SCHEMBL7134138

SCHEMBL7134138

CCCN1C(C)CN(c2cccc(S(C)(=O)=O)c2)CC1C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
GRM2 Q14416 1/20 0.48
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NR1H2 P55055 12/20 0.47
NR1H3 Q13133 11/20 0.47
OPRM1 P35372 1/20 0.44

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
SCHEMBL7134135 1.00 DRD2 (0.62) DRD2GRM2DRD3SIGMAR1NR1H2
SCHEMBL7136208 0.85 DRD2 (0.45) DRD2DRD3NR1H2NR1H3OPRM1
SCHEMBL7136213 0.85 DRD2 (0.45) DRD2DRD3NR1H2NR1H3OPRM1
SCHEMBL3453749 0.77 DRD2 (1.00) DRD2DRD3SIGMAR1
SCHEMBL7136189 0.76 DRD3 (0.47) DRD2DRD3OPRM1
SCHEMBL7136192 0.76 DRD3 (0.47) DRD2DRD3OPRM1
SCHEMBL7136602 0.75 DRD2 (0.61) DRD2GRM2DRD3OPRM1
SCHEMBL7132786 0.75 ALDH1A1 (0.55) DRD2SIGMAR1OPRM1
SCHEMBL7136600 0.75 DRD2 (0.61) DRD2GRM2DRD3OPRM1
SCHEMBL7132782 0.75 ALDH1A1 (0.55) DRD2SIGMAR1OPRM1

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 12/4885GRM2 111/4885DRD3 20/4885

“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.