SCHEMBL3341580

SCHEMBL3341580

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 1/20 0.35
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 2/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL7327907 0.81 MMP13 (0.36) ADORA1MAPTNPSR1ATMTDP1
SCHEMBL3341582 0.79 MAPT (0.39) MAPTKMT2ANPSR1MEN1PPARA
SCHEMBL3336835 0.76 HRH4 (0.37) KMT2AMEN1PPARAPPARDPPARG
Hydrochloric Acid SCHEMBL3342562 0.75 HRH4 (0.36) KMT2AMEN1PPARAPPARDPPARG
SCHEMBL7325648 0.74 AAK1 (0.37) MAPTNPSR1ATMTDP1MMP13
SCHEMBL8362444 0.73 ADORA1 (0.51) ADORA1MAPTPPARAPPARGGAA
SCHEMBL8362441 0.73 ADORA1 (0.51) ADORA1MAPTPPARAPPARGGAA
SCHEMBL6970199 0.72 RAB9A (0.40) MAPTPPARAPPARDPPARGKDM4E
SCHEMBL7267095 0.71 POLB (0.45) MAPTMAPK1KDM4ETDP1
SCHEMBL8189733 0.71 TDP1 (0.34) MAPTKMT2ANPSR1MEN1ATM

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 ADORA1 1103/4885MAPT 3851/4885KMT2A 1844/4885

“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.