SCHEMBL3338015

SCHEMBL3338015

CN[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
S1PR1 P21453 2/20 0.49
S1PR4 O95977 3/20 0.45
ALDH1A1 P00352 3/20 0.44
RECQL P46063 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
MBTPS1 Q14703 1/20 0.42
TYR P14679 1/20 0.42

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 SCHEMBL3336871 0.99 MAPT (0.48) MAPTS1PR1S1PR4ALDH1A1RECQL
SCHEMBL3336890 0.89 MAPT (0.39) MAPTS1PR1S1PR4
Hydrochloric Acid SCHEMBL3334883 0.88 MAPT (0.39) MAPTS1PR1S1PR4
SCHEMBL3335362 0.88 ROCK2 (0.40) MAPTS1PR1
SCHEMBL3338292 0.88 TACR1 (0.41) MAPTS1PR1S1PR4MEN1KMT2A
Hydrochloric Acid SCHEMBL3625843 0.87 ROCK2 (0.39) MAPTS1PR1
Hydrochloric Acid SCHEMBL3335270 0.87 ROCK2 (0.39) MAPTS1PR1
Hydrochloric Acid SCHEMBL3339470 0.87 TACR1 (0.40) MAPTS1PR1S1PR4MEN1KMT2A
SCHEMBL27786110 0.87 MAPT (0.47) MAPTS1PR1S1PR4ALDH1A1RECQL
SCHEMBL27782059 0.86 SMN1; SMN2 (0.42) MAPTS1PR1ALDH1A1MEN1KMT2A

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 6 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
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 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-20100152459-A1 NOVEL HISTIDINE DERIVATIVES HRH4, HNMT, HRH3 MAPT 3851/4885S1PR1 2270/4885S1PR4 2254/4885

“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.