SCHEMBL2182928

SCHEMBL2182928

C[C@H](c1ccccc1)N1CC(C(C)(C)O)CC1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
MAPK1 P28482 1/20 0.50
GRM5 P41594 1/20 0.40
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B2 P37059 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL12414686 1.00 KMT2A (0.62) KMT2AMAPK1GRM5HSD11B1MAPT
SCHEMBL20306360 0.84 SMN1; SMN2 (0.44) KMT2AMAPK1HSD11B1MAPTHSD17B2
SCHEMBL6828707 0.81 KMT2A (0.51) KMT2AMAPK1GRM5MAPTP2RX7
SCHEMBL10013279 0.80 KMT2A (0.58) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL523337 0.79 KMT2A (0.51) KMT2AMAPK1GRM5HSD11B1MAPT
SCHEMBL9939512 0.77 KMT2A (0.66) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL14302495 0.77 KMT2A (0.66) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL13979931 0.77 KMT2A (0.66) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL9938489 0.77 KMT2A (0.66) KMT2AMAPK1GRM5HSD11B1HSD17B2
SCHEMBL13752130 0.77 KMT2A (0.58) KMT2AMAPK1GRM5HSD11B1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (2 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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 KMT2A 1856/4885MAPK1 1570/4885GRM5 900/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KMT2A 2369/4885MAPK1 1390/4885GRM5 724/4885

“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.