SCHEMBL7130861

SCHEMBL7130861

C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.69
NR1H2 P55055 8/20 0.51
NR1H3 Q13133 7/20 0.51
SIGMAR1 Q99720 1/20 0.50
DRD3 P35462 1/20 0.47
HTR2A P28223 1/20 0.47
CHRM4 P08173 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ACHE P22303 1/20 0.44
CCR5 P51681 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7130854 1.00 DRD2 (0.69) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7130859 1.00 DRD2 (0.69) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7518870 0.92 DRD2 (0.60) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7518873 0.89 DRD2 (0.57) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7137393 0.84 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL7137390 0.84 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL7137397 0.84 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL13406112 0.83 ACHE (0.58) DRD2SIGMAR1ACHECCR5
SCHEMBL13406114 0.83 ACHE (0.58) DRD2SIGMAR1ACHECCR5
SCHEMBL4825273 0.82 DRD2 (1.00) DRD2NR1H2NR1H3SIGMAR1DRD3

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 12/4885NR1H2 244/4885NR1H3 330/4885

“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.