SCHEMBL12389598

SCHEMBL12389598

COC(=O)c1ccc2c(c1)C(c1cc(C#N)ccc1OC)=CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ RORC P51449 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
SCHEMBL12389033 0.92 NAMPT (0.43) NAMPTMRGPRX4MAPTCYP11B1CYP11B2
SCHEMBL12388965 0.90 RARA (0.44) MRGPRX4MAPTKDM1ARARARARB
SCHEMBL12365262 0.88 NAMPT (0.43) NAMPTMRGPRX4CYP11B1CYP11B2PLAU
SCHEMBL12365877 0.87 NAMPT (0.43) NAMPTMRGPRX4CYP11B1CYP11B2PLAU
SCHEMBL12365090 0.86 NAMPT (0.43) NAMPTMRGPRX4CYP11B1CYP11B2PLAU
SCHEMBL2260276 0.85 DRD2 (0.37) KDM1APLAU
SCHEMBL12365024 0.84 RARA (0.43) NAMPTMRGPRX4CYP11B1CYP11B2KDM1A
SCHEMBL12389086 0.84 MAPK14 (0.45) MAPTKDM1AKMT2A
SCHEMBL12390311 0.82 MAPT (0.38) MRGPRX4MAPTKMT2APOLBMEN1
SCHEMBL12390243 0.82 NR1H4 (0.41) NAMPTMAPTKMT2A

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 2358/4885MAPT 463/4885

“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.

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