SCHEMBL181875

SCHEMBL181875

CC1(C)C(=O)N(C2CCNCC2)c2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
MARK3 P27448 2/20 0.36
CRHR1 P34998 1/20 0.36
TNKS O95271 1/20 0.35
PGR P06401 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
MARK4 Q96L34 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL10062766 0.84 OPRM1 (0.43) OPRM1OPRK1OPRL1HRH3CRHR1
SCHEMBL12659837 0.84 MARK3 (0.35) OPRM1OPRK1HRH3MARK3TNKS
SCHEMBL12659375 0.81 HTT (0.39)
SCHEMBL30778913 0.81 TNKS (0.46) OPRM1OPRL1MARK3TNKSPGR
Hydrochloric Acid SCHEMBL181819 0.80 TNKS (0.45) OPRM1OPRL1MARK3TNKSPGR
SCHEMBL10062770 0.80 PGR (0.34) HRH3MARK3PGRHTR2CHTR2B
SCHEMBL10062778 0.78 HTR2C (0.45) OPRM1OPRK1OPRL1MARK3HTR2C
SCHEMBL181565 0.77 CHRM3 (0.49) OPRM1OPRK1OPRL1HTR2CHTR2B
Trifluoroacetic Acid SCHEMBL6249270 0.74 TNKS (0.43) HRH3MARK3CRHR1TNKSMARK4
SCHEMBL10063154 0.72 OPRM1 (0.42) OPRM1OPRK1OPRL1HRH3HTR2C

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 33/4885OPRK1 26/4885OPRL1 12/4885

“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.