SCHEMBL12389033

SCHEMBL12389033

COC(=O)c1ccc2c(c1)C(c1ccc(C#N)cc1OC)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PLAU P00749 1/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL12389598 0.92 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B2CYP11B1
SCHEMBL12389785 0.90 CYP11B1 (0.40) MRGPRX4CYP11B2CYP11B1EGLN1MAPT
SCHEMBL12365090 0.88 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B2CYP11B1
SCHEMBL12365262 0.86 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B2CYP11B1
SCHEMBL12365877 0.85 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B2CYP11B1
SCHEMBL12390377 0.85 HTR7 (0.39) PLAUCYP11B2CYP11B1EGLN1MAPT
SCHEMBL12365024 0.84 RARA (0.43) NAMPTMRGPRX4PLAUCYP11B2CYP11B1
SCHEMBL12389839 0.84 KMT2A (0.44) MAPTPOLBKMT2A
SCHEMBL12389781 0.84 MAPK14 (0.48) MAPT
SCHEMBL12389888 0.84 MEN1 (0.45) MAPTMEN1KMT2ARXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NAMPT 2562/4885MRGPRX4 2358/4885PLAU 3632/4885

“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.

Send feedback