SCHEMBL13320908

SCHEMBL13320908

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])c1cccc2c1CC(=C)N2)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL13320907 0.90 DRD2 (0.41) DRD2KDM4ELMNACHRM2CYP3A4
SCHEMBL13320906 0.81 — —
SCHEMBL13320904 0.73 DRD2 (0.56) DRD2KDM4ELMNACHRM2CYP3A4
SCHEMBL13320909 0.73 DRD2 (0.56) DRD2KDM4ELMNACHRM2CYP3A4
SCHEMBL22067622 0.69 DRD2 (0.58) DRD2KDM4ELMNACHRM2CYP3A4
SCHEMBL14363798 0.69 DRD2 (0.71) DRD2KDM4ELMNACHRM2CYP3A4
SCHEMBL12169756 0.63 HTR5A (0.46) —
SCHEMBL25696263 0.60 CA2 (0.36) —
SCHEMBL9924225 0.60 GABRA1 (0.36) LMNACYP3A4HTR2BBLM
SCHEMBL25609629 0.57 PRCP (0.40) HTR1A

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-20100130582-A1 INDOLINONE MODULATORS OF DOPAMINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 — — 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-20100130582-A1 INDOLINONE MODULATORS OF DOPAMINE RECEPTOR HTR2A, HTR3B, MTNR1A DRD2 63/4885KDM4E 2808/4885LMNA 4592/4885

“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.

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