SCHEMBL3314697

SCHEMBL3314697

CN1CCc2cc(C(=O)N3CC[C@@H](NC(=O)c4ccc(Cl)s4)C3)sc2C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.61
WDR91 A4D1P6 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 1/20 0.38
PRNP P04156 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3310110 0.94 F10 (0.56) F10LMNAMAPK1KMT2ANPC1
SCHEMBL3310161 0.86 F10 (0.57) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3312666 0.86 F10 (0.57) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3309468 0.86 F10 (0.57) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3307351 0.86 F10 (0.57) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3308187 0.85 F10 (0.56) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3305721 0.85 F10 (0.56) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL3306427 0.85 F10 (0.56) F10LMNAMAPK1KMT2AMCHR1
SCHEMBL13394921 0.83 F10 (0.50) F10WDR91LMNAMAPK1KMT2A
SCHEMBL3309229 0.83 F10 (0.50) F10WDR91LMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2924/4885WDR91 2351/4885LMNA 3711/4885

“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.