SCHEMBL181536

SCHEMBL181536

CNC1CCN(C(=O)NC(Cc2cccc(F)c2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CALCRL Q16602 8/20 0.37
CALCA P06881 4/20 0.37
CYP51A1 Q16850 1/20 0.37
TACR1 P25103 1/20 0.37
CYP3A4 P08684 4/20 0.36
PDK2 Q15119 1/20 0.36
SCN9A Q15858 1/20 0.36
POLB P06746 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
SCHEMBL181535 1.00 ALDH1A1 (0.40) ALDH1A1LMNACALCRLCALCACYP51A1
SCHEMBL181855 0.92 CALCRL (0.44) ALDH1A1CALCRLCALCACYP51A1CYP3A4
SCHEMBL181856 0.92 CALCRL (0.44) ALDH1A1CALCRLCALCACYP51A1CYP3A4
SCHEMBL181639 0.88 KMT2A (0.39) ALDH1A1LMNACYP51A1TACR1CYP3A4
SCHEMBL181638 0.88 KMT2A (0.39) ALDH1A1LMNACYP51A1TACR1CYP3A4
SCHEMBL15641480 0.87 CYP51A1 (0.38) CALCRLCALCACYP51A1CYP3A4PDK2
SCHEMBL181904 0.87 MC4R (0.41) CALCRLCYP3A4
SCHEMBL181905 0.87 MC4R (0.41) CALCRLCYP3A4
SCHEMBL15641479 0.87 CYP51A1 (0.38) CALCRLCALCACYP51A1CYP3A4PDK2
SCHEMBL182025 0.86 CALCRL (0.41) CALCRLTACR1PDK2

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 9 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 claimed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 US claimed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP claimed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 WO claimed
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 ALDH1A1 2947/4885LMNA 4646/4885CALCRL 669/4885

“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.