SCHEMBL9938489

SCHEMBL9938489

C[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
MAPK1 P28482 1/20 0.52
GRM5 P41594 1/20 0.44
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.40
HSD17B2 P37059 1/20 0.39
MC4R P32245 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 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
SCHEMBL13979931 1.00 KMT2A (0.66) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL14302495 1.00 KMT2A (0.66) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL9939512 1.00 KMT2A (0.66) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL15099772 0.82 KMT2A (0.64) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL12414687 0.82 KMT2A (0.64) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL31655448 0.82 KMT2A (0.64) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL4080893 0.81 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL3867594 0.81 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL13752129 0.81 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL1713614 0.80 KMT2A (1.00) KMT2AMAPK1

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
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 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-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885MAPK1 3900/4885GRM5 3852/4885

“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.