SCHEMBL3341582

SCHEMBL3341582

CC(C)(C)OC(=O)CN[C@@H](Cc1c[nH]cn1)C(=O)OCCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
CACNA1B Q00975 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
PPARD Q03181 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 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
SCHEMBL3336835 0.83 HRH4 (0.37) KMT2AMEN1PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL3342562 0.82 HRH4 (0.36) KMT2AMEN1PPARAPPARGPPARD
SCHEMBL3341580 0.79 ADORA1 (0.37) MAPTTDP1NPSR1KMT2AMEN1
SCHEMBL3336440 0.75 MEN1 (0.34) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL3337996 0.75 CTSK (0.39) MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3336893 0.75 MEN1 (0.34) KMT2AMEN1GAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL3340086 0.74 CTSK (0.39) MAPTKMT2AMEN1KDM4E
SCHEMBL3339240 0.74 ROCK2 (0.39) MAPT
SCHEMBL3342606 0.74 PPARG (0.33) MAPTKMT2APPARAPPARGGAA
Hydrochloric Acid SCHEMBL3336721 0.73 ROCK2 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324261-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US 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 MAPT 3851/4885CACNA1B 1698/4885TDP1 3497/4885

“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.