SCHEMBL181663

SCHEMBL181663

CC1(C)C(=O)N(C2CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.57
OPRL1 P41146 3/20 0.57
OPRK1 P41145 2/20 0.57
CHRM3 P20309 6/20 0.55
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
ACHE P22303 2/20 0.48
CHRM2 P08172 5/20 0.47
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL181565 0.86 CHRM3 (0.49) OPRM1OPRL1OPRK1CHRM3DRD2
SCHEMBL28050723 0.82 TNKS (0.53) SMN1; SMN2
SCHEMBL15848370 0.81 OPRL1 (0.47) OPRM1OPRL1OPRK1CHRM3DRD4
SCHEMBL15848092 0.81 OPRM1 (0.47) OPRM1OPRL1OPRK1CHRM3DRD4
SCHEMBL182229 0.77 OPRD1 (0.49) OPRK1
SCHEMBL9387447 0.76 CYP3A4 (0.54) CHRM3DRD2DRD4DRD3CHRM2
SCHEMBL30778913 0.76 TNKS (0.46) OPRM1OPRL1SMN1; SMN2
SCHEMBL181748 0.75 HRH2 (0.42) OPRK1
SCHEMBL182063 0.75 HRH2 (0.42) OPRK1
SCHEMBL181749 0.75 HRH2 (0.42) OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401268-B1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC (JP) 2015-07-29 EP disclosed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 US disclosed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 US disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 WO 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 OPRM1 33/4885OPRL1 12/4885OPRK1 26/4885

“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.