SCHEMBL2536211

SCHEMBL2536211

COc1ccc2nc(N[C@H]3CCN(Cc4ccccc4)C3)cc(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 2/20 0.56
MCHR1 Q99705 8/20 0.55
EHMT2 Q96KQ7 4/20 0.51
ROCK2 O75116 1/20 0.50
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
OPRK1 P41145 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL2536213 1.00 DNMT3A (0.56) DNMT3AMCHR1EHMT2ROCK2KDM1A
SCHEMBL12247545 0.82 MCHR1 (0.53) MCHR1KDM4EALDH1A1HPGD
SCHEMBL7828368 0.79 NOS3 (0.58) MCHR1EHMT2ROCK2MEN1KMT2A
SCHEMBL13631909 0.76 PHGDH (0.57) ROCK2OPRK1ACHEBACE1
SCHEMBL2531215 0.76 PHGDH (0.57) ROCK2OPRK1ACHEBACE1
SCHEMBL2536411 0.75 NOS3 (0.50) MCHR1MEN1KMT2AALDH1A1
SCHEMBL2536409 0.75 NOS3 (0.50) MCHR1MEN1KMT2AALDH1A1
SCHEMBL3322265 0.74 HRH3 (0.56) EHMT2ROCK2OPRK1ACHEBACE1
SCHEMBL3324567 0.74 HRH3 (0.56) EHMT2ROCK2OPRK1ACHEBACE1
SCHEMBL2537498 0.73 CHEK2 (0.56) MCHR1KDM4E

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 DNMT3A 2076/4885MCHR1 87/4885EHMT2 2691/4885

“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.