SCHEMBL181748

SCHEMBL181748

CC1(C)C(=O)N(C2CCN(C(=O)[C@H](N)CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
OPRK1 P41145 2/20 0.40
MARK3 P27448 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
OPRD1 P41143 1/20 0.39
TNKS O95271 2/20 0.39
PARP1 P09874 1/20 0.39
TACR1 P25103 1/20 0.38
POLB P06746 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL182063 1.00 HRH2 (0.42) HRH2HRH1OPRK1MARK3DPP7
SCHEMBL181749 1.00 HRH2 (0.42) HRH2HRH1OPRK1MARK3DPP7
Hydrochloric Acid SCHEMBL181827 0.99 HRH2 (0.41) HRH2HRH1OPRK1MARK3DPP7
Hydrochloric Acid SCHEMBL181828 0.99 HRH2 (0.41) HRH2HRH1OPRK1MARK3DPP7
SCHEMBL182228 0.90 OPRD1 (0.49) OPRK1MARK3DPP7OPRD1TACR1
SCHEMBL182229 0.90 OPRD1 (0.49) OPRK1MARK3DPP7OPRD1TACR1
SCHEMBL182004 0.89 OPRK1 (0.39) HRH2HRH1OPRK1MARK3DPP7
SCHEMBL182003 0.89 OPRK1 (0.39) HRH2HRH1OPRK1MARK3DPP7
SCHEMBL181915 0.87 CCKBR (0.42) MARK3TNKSPARP1TACR1
SCHEMBL181914 0.87 CCKBR (0.42) MARK3TNKSPARP1TACR1

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 HRH2 222/4885HRH1 347/4885OPRK1 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.