SCHEMBL181565

SCHEMBL181565

CC1(C)C(=O)N(C2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
CHRM2 P08172 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
ACHE P22303 3/20 0.46
BCHE P06276 2/20 0.46
BACE1 P56817 2/20 0.46
SIGMAR1 Q99720 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL181663 0.86 OPRM1 (0.57) CHRM3OPRM1OPRK1OPRL1CHRM2
SCHEMBL182004 0.78 OPRK1 (0.39) OPRK1
SCHEMBL182003 0.78 OPRK1 (0.39) OPRK1
SCHEMBL181875 0.77 OPRM1 (0.36) OPRM1OPRK1OPRL1HTR2CHTR2B
SCHEMBL182015 0.76 CCKBR (0.43)
SCHEMBL13234100 0.71 GAA (0.41) CHRM3OPRM1OPRK1OPRL1CHRM2
SCHEMBL13945630 0.71 CHRM3 (0.79) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL15848092 0.71 OPRM1 (0.47) CHRM3OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL15848370 0.71 OPRL1 (0.47) CHRM3OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL2980917 0.70 CTSS (0.57) CHRM3CHRM2CYP2D6CYP2C9CYP2C19

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 CHRM3 225/4885OPRM1 33/4885OPRK1 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.