SCHEMBL3338064

SCHEMBL3338064

CN[C@@H](Cc1c[nH]cn1)C(=O)OCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
MAPK1 P28482 3/20 0.33
PKM P14618 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
EPHX2 P34913 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31

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
Hydrochloric Acid SCHEMBL3339841 0.99 CYP19A1 (0.34) CYP19A1MAPK1PKMHSD17B10HRH3
SCHEMBL3337469 0.85 LMNA (0.39) MAPK1HRH3ALDH1A1
SCHEMBL15322065 0.84 MEN1 (0.30) KMT2A
SCHEMBL19123170 0.84 SMN1; SMN2 (0.35) KDM4E
SCHEMBL3337001 0.84 SMN1; SMN2 (0.35) KDM4E
SCHEMBL13246853 0.84 SMN1; SMN2 (0.35) KDM4E
SCHEMBL2059164 0.84 HDAC6 (0.36) HSD17B10ALDH1A1GAAKMT2A
SCHEMBL12765185 0.84 HDAC6 (0.36) HSD17B10ALDH1A1GAAKMT2A
SCHEMBL28774335 0.84
SCHEMBL3341852 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202227-B1 NOVEL HISTIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-11-20 EP disclosed
US-8324261-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-2202227-A1 NOVEL HISTIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP disclosed
US-20100152459-A1 NOVEL HISTIDINE DERIVATIVES NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-06-17 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 (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-20100152459-A1 NOVEL HISTIDINE DERIVATIVES HRH4, HNMT, HRH3 CYP19A1 4682/4885MAPK1 3716/4885PKM 2820/4885

“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.