SCHEMBL15640652

SCHEMBL15640652

CN(C)CCC(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
CCKBR P32239 7/20 0.43
CCR10 P46092 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
TACR1 P25103 2/20 0.38
TACR2 P21452 1/20 0.38

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
SCHEMBL15640653 1.00 CCR1 (0.44) CCR1CCKBRCCR10KMT2AMMP2
SCHEMBL182395 0.91 CCR1 (0.40) CCR1CCKBRCCR10KMT2AMMP2
SCHEMBL182396 0.91 CCR1 (0.40) CCR1CCKBRCCR10KMT2AMMP2
SCHEMBL181908 0.89 CCKBR (0.44) CCR1CCKBRCCR10TACR1
SCHEMBL181907 0.89 CCKBR (0.44) CCR1CCKBRCCR10TACR1
SCHEMBL181979 0.89 CCKBR (0.47) CCR1CCKBRCCR10TACR1
SCHEMBL181746 0.89 CCKBR (0.43) CCR1CCKBRCCR10TACR1TACR2
SCHEMBL181745 0.89 CCKBR (0.43) CCR1CCKBRCCR10TACR1TACR2
SCHEMBL181941 0.87 CCR1 (0.42) CCR1CCKBRCCR10KMT2AMMP2
SCHEMBL181940 0.87 CCR1 (0.42) CCR1CCKBRCCR10KMT2AMMP2

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 3 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
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 US 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 CCR1 1404/4885CCKBR 55/4885CCR10 1638/4885

“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.