SCHEMBL182229

SCHEMBL182229

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
DPP4 P27487 2/20 0.46
HDAC8 Q9BY41 3/20 0.46
POLB P06746 1/20 0.44
OPRK1 P41145 2/20 0.44
TACR1 P25103 1/20 0.43
MARK3 P27448 1/20 0.43
CHRM1 P11229 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 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
SCHEMBL182228 1.00 OPRD1 (0.49) OPRD1DPP4HDAC8POLBOPRK1
SCHEMBL181860 0.92 DPP4 (0.46) OPRD1DPP4FAPDPP8DPP9
SCHEMBL181861 0.92 DPP4 (0.46) OPRD1DPP4FAPDPP8DPP9
SCHEMBL181749 0.90 HRH2 (0.42) OPRD1POLBOPRK1TACR1MARK3
SCHEMBL181748 0.90 HRH2 (0.42) OPRD1POLBOPRK1TACR1MARK3
SCHEMBL182063 0.90 HRH2 (0.42) OPRD1POLBOPRK1TACR1MARK3
Hydrochloric Acid SCHEMBL181827 0.89 HRH2 (0.41) OPRD1POLBOPRK1TACR1MARK3
Hydrochloric Acid SCHEMBL181828 0.89 HRH2 (0.41) OPRD1POLBOPRK1TACR1MARK3
SCHEMBL181915 0.81 CCKBR (0.42) TACR1MARK3
SCHEMBL181914 0.81 CCKBR (0.42) TACR1MARK3

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 OPRD1 28/4885DPP4 2111/4885HDAC8 292/4885

“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.