SCHEMBL3336890

SCHEMBL3336890

CN[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
S1PR1 P21453 2/20 0.39
NAAA Q02083 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TACR1 P25103 5/20 0.36
S1PR4 O95977 1/20 0.36
MMP12 P39900 3/20 0.36
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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 SCHEMBL3334883 0.99 MAPT (0.39) MAPTS1PR1NAAAGAAHTT
SCHEMBL3338292 0.89 TACR1 (0.41) MAPTS1PR1GAATACR1S1PR4
SCHEMBL3338015 0.89 MAPT (0.49) MAPTS1PR1S1PR4
Hydrochloric Acid SCHEMBL3339470 0.88 TACR1 (0.40) MAPTS1PR1GAATACR1S1PR4
SCHEMBL3342606 0.88 PPARG (0.33) MAPTGAAHTT
Hydrochloric Acid SCHEMBL3336871 0.88 MAPT (0.48) MAPTS1PR1S1PR4
SCHEMBL3336953 0.87 SMN1; SMN2 (0.42) MAPTS1PR1NAAATRPV1
SCHEMBL27782059 0.87 SMN1; SMN2 (0.42) MAPTS1PR1NAAATRPV1
Hydrochloric Acid SCHEMBL3336966 0.87 PPARG (0.32) MAPTGAAHTT
Hydrochloric Acid SCHEMBL3336446 0.86 SMN1; SMN2 (0.41) MAPTS1PR1NAAAKDM4ETDP1

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 MAPT 3851/4885S1PR1 2270/4885NAAA 333/4885

“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.