SCHEMBL3336835

SCHEMBL3336835

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PPARG P37231 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.33
NLN Q9BYT8 1/20 0.33
ATM Q13315 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL3342562 0.99 HRH4 (0.36) HRH4HRH3PPARGCYP1A2CYP2D6
SCHEMBL3342606 0.90 PPARG (0.33) PPARGPPARAPPARDKMT2AATM
Hydrochloric Acid SCHEMBL3336966 0.89 PPARG (0.32) PPARGPPARAPPARDKMT2AATM
SCHEMBL3335362 0.89 ROCK2 (0.40)
SCHEMBL3338292 0.89 TACR1 (0.41) PPARAKMT2AMEN1
SCHEMBL3340163 0.88 SMN1; SMN2 (0.41) PPARGKMT2ACHRM5CHRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL3625843 0.88 ROCK2 (0.39)
Hydrochloric Acid SCHEMBL3335270 0.88 ROCK2 (0.39)
Hydrochloric Acid SCHEMBL3339470 0.88 TACR1 (0.40) PPARAKMT2AMEN1
SCHEMBL3336440 0.87 MEN1 (0.34) CYP2C19KMT2AMEN1POLBSMN1; SMN2

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 HRH4 1/4885HRH3 3/4885PPARG 4858/4885

“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.