SCHEMBL3328076

SCHEMBL3328076

O=C(NC1CC1)[C@@H]1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.44
PRCP P42785 1/20 0.42
POLB P06746 1/20 0.42
EPHX1 P07099 7/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 1/20 0.40
ULK1 O75385 1/20 0.39
HDAC2 Q92769 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL3332574 1.00 SCN4A (0.44) SCN4APRCPPOLBEPHX1ARG1
Hydrochloric Acid SCHEMBL3266403 0.98 SCN4A (0.46) SCN4APRCPPOLBEPHX1ARG1
SCHEMBL9824982 0.94 EPHX1 (0.48) SCN4APRCPPOLBEPHX1SMN1; SMN2
SCHEMBL3332602 0.94 SCN4A (0.48) SCN4APRCPPOLBEPHX1ARG1
SCHEMBL3330098 0.94 SCN4A (0.48) SCN4APRCPPOLBEPHX1ARG1
SCHEMBL3673723 0.94 SCN4A (0.48) SCN4APRCPPOLBEPHX1ARG1
SCHEMBL17690631 0.93 EPHX2 (0.47) SCN4APRCPPOLBEPHX1ARG1
SCHEMBL13708496 0.93 EPHX2 (0.47) SCN4APRCPPOLBEPHX1ARG1
Hydrochloric Acid SCHEMBL952803 0.92 SCN4A (0.50) SCN4APRCPPOLBEPHX1ARG1
Hydrochloric Acid SCHEMBL3636670 0.92 SCN4A (0.50) SCN4APRCPPOLBEPHX1ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
EP-1497273-B1 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2010-06-09 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
US-7589091-B2 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain NOVARTIS AG (CH) 2009-09-15 US disclosed
US-7589091-B2 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain NOVARTIS AG (CH) 2009-09-15 US disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 SCN4A 1347/4885PRCP 1192/4885POLB 1874/4885

“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.