SCHEMBL3669478

SCHEMBL3669478

O=C(NC1CCCC1)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
PRCP P42785 2/20 0.46
EPHX1 P07099 6/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
DPP7 Q9UHL4 1/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.42
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL17676964 1.00 SCN4A (0.47) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL3333289 1.00 SCN4A (0.47) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL9825084 0.98 EPHX1 (0.48) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL7265700 0.98 EPHX1 (0.48) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL5157107 0.98 EPHX1 (0.48) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL17676973 0.98 EPHX1 (0.48) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL953074 0.96 SCN4A (0.47) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL3633992 0.96 SCN4A (0.47) SCN4APRCPEPHX1NPC1RAB9A
SCHEMBL9824982 0.94 EPHX1 (0.48) SCN4APRCPEPHX1NPC1RAB9A
Hydrochloric Acid SCHEMBL3327729 0.94 SCN4A (0.49) SCN4APRCPEPHX1NPC1RAB9A

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-20230210949-A1 LIQUID FORMULATION HANMI PHARM CO., LTD. (KR) 2023-07-06 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP 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 (2 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 SCN4A 2538/4885PRCP 4634/4885EPHX1 1122/4885
US-20230210949-A1 LIQUID FORMULATION GLP1R, GIPR, SSTR5 SCN4A 2260/4885PRCP 1036/4885EPHX1 4095/4885

“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.