SCHEMBL12413679

SCHEMBL12413679

CNCC1CCCN(C(=O)C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
METAP1 P53582 1/20 0.36
NAMPT P43490 1/20 0.36
LIPE Q05469 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GRM5 P41594 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL14471287 0.90 NAMPT (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24171132 0.88 EPHX2 (0.39) EPHX2ITGB3ITGA2BCHRNB2CHRNA3
SCHEMBL23710268 0.86 EPHX2 (0.38) EPHX2ITGB3ITGA2BCHRNB2CHRNA3
SCHEMBL24170774 0.84 METAP1 (0.37) EPHX2ITGB3ITGA2BCHRNB2CHRNA3
SCHEMBL24171129 0.84 METAP1 (0.37) EPHX2ITGB3ITGA2BCHRNB2CHRNA3
SCHEMBL4546628 0.82 LIPE (0.50) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19755668 0.82 LIPE (0.50) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13783471 0.82 DPP8 (0.47) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19755880 0.82 DPP8 (0.47) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21430429 0.82 EPHX2 (0.41) EPHX2ITGB3ITGA2BMETAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 EPHX2 884/4885ITGB3 3653/4885ITGA2B 4274/4885

“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.