SCHEMBL6119947

SCHEMBL6119947

O=C(O)NCCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
PRMT3 O60678 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 1/20 0.38
TGM2 P21980 1/20 0.36
ADORA2A P29274 1/20 0.36
NAAA Q02083 1/20 0.35
CYP2D6 P10635 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRL1 P41146 1/20 0.34
ACHE P22303 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
SCHEMBL3811830 0.82 TDP1 (0.45) NAMPTPRMT3EPHX1KDM1AMAOA
SCHEMBL9893063 0.82 BRD4 (0.43) NAMPTPRMT3EPHX1KDM1AMAOA
SCHEMBL28691672 0.81 EPHX1 (0.53) EPHX1CYP2D6NPC1RAB9AL3MBTL1
SCHEMBL17493719 0.81 EPHX1 (0.58) PRMT3EPHX1CYP2D6NPC1RAB9A
SCHEMBL13070014 0.81 ALDH1A1 (0.42) NAMPTPRMT3EPHX1KDM1AMAOA
SCHEMBL15248911 0.81 NAMPT (0.40) NAMPTPRMT3EPHX1KDM1AMAOA
SCHEMBL25925311 0.79 MEN1 (0.45) NAMPTPRMT3EPHX1ALDH1A1
SCHEMBL9956855 0.79 CYP2D6 (0.53) NAMPTEPHX1BRD4ALDH1A1EPHX2
SCHEMBL6062059 0.79 EPHX1 (0.61) EPHX1EPHX2CYP2D6NPC1RAB9A
SCHEMBL9891910 0.78 SIGMAR1 (0.43) NAMPTPRMT3EPHX1BRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 NAMPT 812/4885PRMT3 397/4885EPHX1 2957/4885

“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.