Sugi Predict

Sugi Predict / Compounds / SCHEMBL181855

SCHEMBL181855

SCHEMBL181855

CN[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.44
▸ GAA P10253 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CALCA P06881 1/20 0.38
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA1 P25786 1/20 0.38
▸ PSMA2 P25787 1/20 0.38
▸ PSMA3 P25788 1/20 0.38
▸ PSMA4 P25789 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMA5 P28066 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
SCHEMBL181856 1.00 CALCRL (0.44) CALCRLGAAPOLBCYP3A4RAB9A
SCHEMBL181905 0.94 MC4R (0.41) CALCRLCYP3A4PSMB11PSMA7PSMB1
SCHEMBL181904 0.94 MC4R (0.41) CALCRLCYP3A4PSMB11PSMA7PSMB1
SCHEMBL181581 0.93 CALCRL (0.41) CALCRLGAAPSMB5
SCHEMBL181580 0.93 CALCRL (0.41) CALCRLGAAPSMB5
SCHEMBL182025 0.93 CALCRL (0.41) CALCRLGAAPSMB5
SCHEMBL181535 0.92 ALDH1A1 (0.40) CALCRLPOLBCYP3A4ALDH1A1CALCA
SCHEMBL181536 0.92 ALDH1A1 (0.40) CALCRLPOLBCYP3A4ALDH1A1CALCA
SCHEMBL181666 0.89 CYP51A1 (0.39) CALCRLCYP3A4CALCAPSMB5CYP51A1
SCHEMBL15641479 0.89 CYP51A1 (0.38) CALCRLCYP3A4KMT2ACALCACYP51A1

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 8 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
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 — — US 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
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 669/4885GAA 2515/4885POLB 4815/4885

“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.