SCHEMBL3308508

SCHEMBL3308508

CNC(=O)OC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CCN(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.42
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
WDR91 A4D1P6 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL3313564 1.00 F10 (0.42) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13395162 0.92 F10 (0.41) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3308413 0.90 F10 (0.44) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3308423 0.90 F10 (0.44) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3306353 0.90 F10 (0.42) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3306348 0.90 F10 (0.42) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13394985 0.88 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3312605 0.88 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13395189 0.87 F10 (0.43) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13372932 0.86 F10 (0.44) F10LMNAMAPK1KMT2AWDR91

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
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

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 F10 2924/4885LMNA 3711/4885MAPK1 2494/4885

“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.