SCHEMBL468391

SCHEMBL468391

O=COC(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
CYP2D6 P10635 2/20 0.34
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
LMNA P02545 2/20 0.34
ADRA1A P35348 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL858 0.88 CYP2D6 (0.42) HTTCYP2D6SCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL10708013 0.86 HTT (0.44) HTTCYP2D6SCN1ASCN2ASCN3A
Cyclopropane SCHEMBL28325005 0.82 CYP2D6 (0.38) HTTCYP2D6SCN1ASCN2ASCN3A
Propane SCHEMBL28323919 0.80 HTT (0.49) HTTCYP2D6SCN1ASCN2ASCN3A
SCHEMBL5537752 0.77 IDO1 (0.58) HTTCYP2D6LMNAADRA1ACYP1A2
SCHEMBL5536665 0.77 IDO1 (0.45) SLC6A2SLC6A4SLC6A3KMT2AIDO1
SCHEMBL27586901 0.74 HTT (0.37) HTTCYP2D6SCN1ASCN2ASCN3A
SCHEMBL7586879 0.74 IDO1 (0.39) HTTCYP2D6SCN1ASCN2ASCN3A
SCHEMBL27846157 0.74 CYP2D6 (0.38) CYP2D6LMNATSHRKMT2AKDM4E
SCHEMBL8300706 0.73 HTT (0.46) HTTCYP2D6SCN1ASCN2ASCN3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987498-B2 Enantiomerically pure amines NABRIVA THERAPEUTICS AG (AT) 2015-03-24 US disclosed
EP-2576531-B1 Enantiomerically pure amines NABRIVA THERAPEUTICS AG (AT) 2014-08-13 EP disclosed
EP-2576531-A1 ENANTIOMERICALLY PURE AMINES Nabriva Therapeutics AG (AT) 2013-04-10 EP disclosed
US-20130072711-A1 ENANTIOMERICALLY PURE AMINES NABRIVA THERAPEUTICS AG (AT) 2013-03-21 US disclosed
WO-2011146953-A1 ENANTIOMERICALLY PURE AMINES NABRIVA THERAPEUTICS AG (AT) 2011-12-01 WO disclosed
EP-2390245-A1 Enantiomerically pure amines Nabriva Therapeutics AG (AT) 2011-11-30 EP 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-20130072711-A1 ENANTIOMERICALLY PURE AMINES PTMA, QPCTL, ATIC HTT 130/4885CYP2D6 929/4885SCN1A 724/4885

“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.