SCHEMBL3335362

SCHEMBL3335362

CN[C@@H](Cc1c[nH]cn1)C(=O)OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
CTSK P43235 1/20 0.38
MMP2 P08253 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NMBR P28336 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36

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 SCHEMBL3625843 0.99 ROCK2 (0.39) ROCK2MGLLMAPTS1PR1CTSK
Hydrochloric Acid SCHEMBL3335270 0.99 ROCK2 (0.39) ROCK2MGLLMAPTS1PR1CTSK
SCHEMBL3342606 0.90 PPARG (0.33) MAPT
SCHEMBL3337996 0.89 CTSK (0.39) ROCK2MGLLMAPTS1PR1CTSK
SCHEMBL3336835 0.89 HRH4 (0.37)
Hydrochloric Acid SCHEMBL3336966 0.89 PPARG (0.32) MAPT
SCHEMBL3338015 0.88 MAPT (0.49) MAPTS1PR1
SCHEMBL3340163 0.88 SMN1; SMN2 (0.41) MAPT
Hydrochloric Acid SCHEMBL3342562 0.88 HRH4 (0.36)
Hydrochloric Acid SCHEMBL3340086 0.88 CTSK (0.39) ROCK2MGLLMAPTS1PR1CTSK

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 8 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 claimed
US-8324261-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US claimed
EP-2202227-A1 NOVEL HISTIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP claimed
US-20100152459-A1 NOVEL HISTIDINE DERIVATIVES NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-06-17 US claimed
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 ROCK2 4133/4885MGLL 3945/4885MAPT 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.