SCHEMBL3308085

SCHEMBL3308085

CN1CCc2cc(C(=O)N3CCC(N)C3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
KDM1A O60341 15/20 0.48
LOXL2 Q9Y4K0 1/20 0.45
MCHR1 Q99705 1/20 0.44
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3308077 1.00 F10 (0.48) F10KDM1ALOXL2MCHR1CCNK
SCHEMBL13473777 0.84 ADRA1A (0.49) F10MCHR1CCNKCDK12
SCHEMBL3306278 0.83 CCNK (0.49) F10KDM1AMCHR1CCNKCDK12
SCHEMBL3306286 0.83 CCNK (0.49) F10KDM1AMCHR1CCNKCDK12
SCHEMBL3308159 0.83 F10 (0.47) F10KDM1AMCHR1
SCHEMBL13473816 0.82 RAB9A (0.57) MCHR1
SCHEMBL8476735 0.81 F10 (0.56) F10KDM1AL3MBTL3L3MBTL1
SCHEMBL13473810 0.81 PDK2 (0.51) F10MCHR1
SCHEMBL13473890 0.80 ADRA1A (0.46) F10MCHR1CCNKCDK12
SCHEMBL3311823 0.79 KDM5A (0.54) F10MCHR1CCNKCDK12L3MBTL3

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-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

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 2924/4885KDM1A 2918/4885LOXL2 2283/4885

“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.