SCHEMBL12365877

SCHEMBL12365877

COC(=O)c1ccc2c(c1)C(c1cc(C#N)ccc1F)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ MAPK14 Q16539 5/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ PLAU P00749 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL12365262 0.88 NAMPT (0.43) NAMPTMAPK14CYP11B2CYP11B1MRGPRX4
SCHEMBL12389598 0.87 NAMPT (0.43) NAMPTCYP11B2CYP11B1MRGPRX4PLAU
SCHEMBL12365879 0.87 RARA (0.39) MAPK14PTGDR2
SCHEMBL12365090 0.86 NAMPT (0.43) NAMPTMAPK14CYP11B2CYP11B1MRGPRX4
SCHEMBL12365406 0.85 MAPK14 (0.49) MAPK14GAASMN1; SMN2PDK2
SCHEMBL12389033 0.85 NAMPT (0.43) NAMPTCYP11B2CYP11B1MRGPRX4PLAU
SCHEMBL12365024 0.84 RARA (0.43) NAMPTMAPK14CYP11B2CYP11B1MRGPRX4
SCHEMBL12365832 0.84 MAPK14 (0.44) MAPK14MRGPRX4PDK2
SCHEMBL12365827 0.84 CA1 (0.41) MAPK14GAARXFP1
SCHEMBL12365331 0.83 MAPK14 (0.43) MAPK14GAASMN1; SMN2PDK2

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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NAMPT 2562/4885MAPK14 3304/4885CYP11B2 707/4885

“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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