SCHEMBL4748532

SCHEMBL4748532

C[C@H](c1ccccc1)N1C[C@@]2(CF)CC[C@@]2(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
MAPK1 P28482 7/20 0.37
KMT2A Q03164 1/20 0.36
METAP2 P50579 2/20 0.36
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL4748562 0.85 CYP2C19 (0.38) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL2670403 0.77 OPRL1 (0.39) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL4793751 0.74 HSD11B1 (0.41) HSD11B1MAPK1KMT2ACYP2D6OPRM1
SCHEMBL2670581 0.73 METAP2 (0.37) MAPK1KMT2AMETAP2OPRL1
SCHEMBL4748535 0.71 CYP2D6 (0.45) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL4793309 0.70 HSD11B1 (0.38) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL14671520 0.70 KMT2A (0.41) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL3973699 0.70 KMT2A (0.39) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL3978320 0.70 KMT2A (0.39) HSD11B1MAPK1KMT2AMETAP2CYP2D6
SCHEMBL15099815 0.70 HSD11B1 (0.42) HSD11B1MAPK1KMT2AMETAP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 HSD11B1 3535/4885MAPK1 2614/4885KMT2A 2847/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 HSD11B1 3535/4885MAPK1 2614/4885KMT2A 2847/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 HSD11B1 3535/4885MAPK1 2614/4885KMT2A 2847/4885

“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.