SCHEMBL181860

SCHEMBL181860

CC1(C)C(=O)N(C2CCN(C(=O)[C@@H](N)Cc3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
AKT1 P31749 6/20 0.46
MC4R P32245 5/20 0.44
AKT2 P31751 1/20 0.44
AKT1S1 Q96B36 1/20 0.44
AKT3 Q9Y243 1/20 0.44
DPP7 Q9UHL4 5/20 0.43
OPRD1 P41143 2/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42

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
SCHEMBL181861 1.00 DPP4 (0.46) DPP4AKT1MC4RAKT2AKT1S1
SCHEMBL182228 0.92 OPRD1 (0.49) DPP4DPP7OPRD1FAPDPP8
SCHEMBL182229 0.92 OPRD1 (0.49) DPP4DPP7OPRD1FAPDPP8
SCHEMBL181749 0.83 HRH2 (0.42) DPP7OPRD1
SCHEMBL182063 0.83 HRH2 (0.42) DPP7OPRD1
SCHEMBL181748 0.83 HRH2 (0.42) DPP7OPRD1
Hydrochloric Acid SCHEMBL181827 0.82 HRH2 (0.41) DPP7OPRD1
Hydrochloric Acid SCHEMBL181828 0.82 HRH2 (0.41) DPP7OPRD1
SCHEMBL181664 0.81 MC4R (0.55) MC4RMC3RMC1R
SCHEMBL181665 0.81 MC4R (0.55) MC4RMC3RMC1R

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 DPP4 2111/4885AKT1 1532/4885MC4R 16/4885

“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.