SCHEMBL2536409

SCHEMBL2536409

COc1ccc2nc(N[C@H]3CCN(C(=O)C(=O)c4ccc(Cl)cc4)C3)cc(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
MC4R P32245 2/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 6/20 0.44
MAPT P10636 3/20 0.43
CCNK O75909 3/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
MNAT1 P51948 3/20 0.42
CDK12 Q9NYV4 3/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2536411 1.00 NOS3 (0.50) NOS3NOS1NOS2MC4RKCNH2
SCHEMBL2537868 0.89 CCNK (0.41) NOS3NOS1NOS2MCHR1CCNK
SCHEMBL2537865 0.89 CCNK (0.41) NOS3NOS1NOS2MCHR1CCNK
SCHEMBL2537828 0.83 HSD11B1 (0.46) NOS3NOS1NOS2MC4RKCNH2
SCHEMBL2537824 0.83 HSD11B1 (0.46) NOS3NOS1NOS2MC4RKCNH2
SCHEMBL12247545 0.77 MCHR1 (0.53) MCHR1ALDH1A1
SCHEMBL2536213 0.75 DNMT3A (0.56) MCHR1MEN1ALDH1A1KMT2A
SCHEMBL2536211 0.75 DNMT3A (0.56) MCHR1MEN1ALDH1A1KMT2A
SCHEMBL5434552 0.72 MCHR1 (0.62) MCHR1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL12225476 0.72 HSD11B1 (0.48)

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 NOS3 4479/4885NOS1 4230/4885NOS2 4268/4885

“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.