SCHEMBL8477013

SCHEMBL8477013

CN1CCc2cc(C(=O)N3CC[C@@H](NC(=O)c4ccc(Cl)cn4)C3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNK O75909 11/20 0.56
CDK12 Q9NYV4 11/20 0.56
KDM5A P29375 3/20 0.47
F10 P00742 1/20 0.47
MCHR1 Q99705 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
HTR1F P30939 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3311823 0.89 KDM5A (0.54) CCNKCDK12KDM5AF10MCHR1
SCHEMBL3311825 0.89 KDM5A (0.54) CCNKCDK12KDM5AF10MCHR1
SCHEMBL4585788 0.86 CCNK (0.53) CCNKCDK12KDM5AF10MCHR1
SCHEMBL3307385 0.83 KDM5A (0.55) CCNKCDK12KDM5AF10
SCHEMBL3307390 0.83 KDM5A (0.55) CCNKCDK12KDM5AF10
SCHEMBL3306278 0.81 CCNK (0.49) CCNKCDK12F10MCHR1
SCHEMBL3306286 0.81 CCNK (0.49) CCNKCDK12F10MCHR1
SCHEMBL3306427 0.81 F10 (0.56) CCNKCDK12KDM5AF10MCHR1
SCHEMBL3305721 0.81 F10 (0.56) CCNKCDK12KDM5AF10MCHR1
SCHEMBL3308187 0.81 F10 (0.56) CCNKCDK12KDM5AF10MCHR1

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
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD CCNK 1866/4885CDK12 2491/4885KDM5A 2241/4885

“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.