SCHEMBL3034747

SCHEMBL3034747

O=Cc1ccc(-c2ccc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
GRM1 Q13255 3/20 0.32
DPP4 P27487 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKT1 P31749 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL3050411 0.78 FGFR1 (0.33) DRD1DRD2DRD4DRD5DRD3
SCHEMBL13137115 0.76 DPP4 (0.44) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3044076 0.75 KDR (0.40) DRD1ALDH1A1CYP2A6
SCHEMBL3044843 0.75 EIF4E (0.31)
SCHEMBL3050681 0.74 KCNN4 (0.32) DRD1DRD2DRD4DRD3
SCHEMBL3040441 0.73 ALDH1A1 (0.34) DRD1ALDH1A1CYP2A6
SCHEMBL6489898 0.73 FGFR1 (0.42) ALDH1A1CYP2A6
SCHEMBL3047005 0.73 ALDH1A1 (0.35) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3046969 0.73 DRD1 (0.35) DRD1DRD2DRD4DRD5DRD3
SCHEMBL3044219 0.73 DRD1 (0.35) DRD1DRD2DRD4DRD5DRD3

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 DRD1 290/4885DRD2 140/4885DRD4 334/4885

“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.