SCHEMBL181920

SCHEMBL181920

CN(C1CC1)C1CCN(C(=O)NC(CCc2ccccc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.41
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
CCKBR P32239 2/20 0.39
CACNA1B Q00975 7/20 0.38
PSMB5 P28074 1/20 0.36
CCR1 P32246 1/20 0.35
CCR10 P46092 1/20 0.35
MARK3 P27448 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL181919 1.00 CALCRL (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181885 0.94 TACR2 (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181884 0.94 TACR2 (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL3623022 0.92 TACR2 (0.44) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181989 0.88 USP30 (0.38) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181581 0.87 CALCRL (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL182025 0.87 CALCRL (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181580 0.87 CALCRL (0.41) CALCRLTACR2TACR1CCKBRCACNA1B
SCHEMBL181979 0.86 CCKBR (0.47) CALCRLTACR1CCKBRCCR1CCR10
SCHEMBL16938491 0.86 CALCRL (0.40) CALCRLTACR2TACR1CCKBRCACNA1B

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 CALCRL 669/4885TACR2 111/4885TACR1 101/4885

“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.