SCHEMBL3340163

SCHEMBL3340163

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
F2RL1 P55085 1/20 0.39
CHRM3 P20309 1/20 0.38
MMP3 P08254 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.37
PPARG P37231 1/20 0.37

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 SCHEMBL3337466 0.99 SMN1; SMN2 (0.40) SMN1; SMN2NPC1MAPTRAB9AGLA
SCHEMBL3342606 0.89 PPARG (0.33) MAPTKMT2ACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3336966 0.88 PPARG (0.32) MAPTKMT2ACHRM5CHRM1CHRM3
SCHEMBL3336835 0.88 HRH4 (0.37) SMN1; SMN2KMT2ACHRM5CHRM1PPARG
SCHEMBL3335362 0.88 ROCK2 (0.40) MAPT
Hydrochloric Acid SCHEMBL3342562 0.87 HRH4 (0.36) SMN1; SMN2KMT2ACHRM5CHRM1PPARG
Hydrochloric Acid SCHEMBL3625843 0.87 ROCK2 (0.39) MAPT
Hydrochloric Acid SCHEMBL3335270 0.87 ROCK2 (0.39) MAPT
SCHEMBL3336440 0.86 MEN1 (0.34) SMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3336893 0.85 MEN1 (0.34) SMN1; SMN2KMT2AALDH1A1

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 SMN1; SMN2 2519/4885NPC1 2171/4885MAPT 3851/4885

“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.