SCHEMBL3306278

SCHEMBL3306278

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNK O75909 4/20 0.49
CDK12 Q9NYV4 4/20 0.49
F10 P00742 1/20 0.46
PDE4B Q07343 1/20 0.42
MCHR1 Q99705 1/20 0.41
MYC P01106 1/20 0.41
PDK2 Q15119 1/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM1A O60341 1/20 0.40
PDE2A O00408 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3306286 1.00 CCNK (0.49) CCNKCDK12F10PDE4BMCHR1
SCHEMBL3311823 0.86 KDM5A (0.54) CCNKCDK12F10MCHR1L3MBTL3
SCHEMBL3311825 0.86 KDM5A (0.54) CCNKCDK12F10MCHR1L3MBTL3
SCHEMBL3308274 0.84 KDM5A (0.55) CCNKCDK12ALDH1A1L3MBTL1
SCHEMBL3308282 0.84 KDM5A (0.55) CCNKCDK12ALDH1A1L3MBTL1
SCHEMBL3308077 0.83 F10 (0.48) CCNKCDK12F10MCHR1KDM1A
SCHEMBL3308085 0.83 F10 (0.48) CCNKCDK12F10MCHR1KDM1A
SCHEMBL13395041 0.83 CCNK (0.43) CCNKCDK12F10ALDH1A1
SCHEMBL3307390 0.83 KDM5A (0.55) CCNKCDK12F10PDE4BL3MBTL1
SCHEMBL3307385 0.83 KDM5A (0.55) CCNKCDK12F10PDE4BL3MBTL1

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 CCNK 1866/4885CDK12 2491/4885F10 2924/4885

“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.