SCHEMBL2537865

SCHEMBL2537865

Cc1cc(N[C@H]2CCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)nc2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNK O75909 6/20 0.41
CDK12 Q9NYV4 6/20 0.41
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
AURKA O14965 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
MCHR1 Q99705 1/20 0.37
PAK4 O96013 1/20 0.37

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
SCHEMBL2537868 1.00 CCNK (0.41) CCNKCDK12NOS1NOS2NOS3
SCHEMBL2536411 0.89 NOS3 (0.50) CCNKCDK12NOS1NOS2NOS3
SCHEMBL2536409 0.89 NOS3 (0.50) CCNKCDK12NOS1NOS2NOS3
SCHEMBL2539434 0.82 HSD11B1 (0.48)
SCHEMBL2539432 0.82 HSD11B1 (0.48)
SCHEMBL12225476 0.74 HSD11B1 (0.48)
SCHEMBL12247667 0.73 MC4R (0.49) CCNKCDK12NOS1NOS2NOS3
SCHEMBL2537828 0.71 HSD11B1 (0.46) NOS1NOS2NOS3MCHR1
SCHEMBL2537824 0.71 HSD11B1 (0.46) NOS1NOS2NOS3MCHR1
SCHEMBL13992544 0.70 MC4R (0.43) CCNKCDK12NOS1NOS2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R CCNK 3612/4885CDK12 1912/4885NOS1 4230/4885

“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.