SCHEMBL4842019

SCHEMBL4842019

N=C(N)CCc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CYP2D6 P10635 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
NR3C2 P08235 1/20 0.46
SLC6A3 Q01959 2/20 0.45
LMNA P02545 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
FFAR1 O14842 1/20 0.43
DAO P14920 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42

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 SCHEMBL4713893 0.98 TAAR1 (0.56) TAAR1IDO1AGXTCYP2D6NOS3
SCHEMBL2857831 0.81 TAAR1 (0.58) TAAR1IDO1AGXTNR3C2FFAR1
SCHEMBL30344632 0.81 TAAR1 (0.58) TAAR1IDO1AGXTNR3C2FFAR1
SCHEMBL1623365 0.81 HTR3E (0.61) TAAR1IDO1AGXT
Hydrochloric Acid SCHEMBL214750 0.79 HTR3E (0.59) TAAR1IDO1AGXT
SCHEMBL4847406 0.78 HTR3E (0.68) TAAR1IDO1AGXTCTSLCTSB
Hydrochloric Acid SCHEMBL21274005 0.78 LOXL2 (0.55) CYP2D6NOS3NOS1NOS2LMNA
SCHEMBL17548500 0.78 TAAR1 (0.58) TAAR1IDO1CYP2D6NOS3NOS1
SCHEMBL3926060 0.77 TAAR1 (0.57) TAAR1IDO1AGXTNOS3NOS1
SCHEMBL3371633 0.77 TAAR1 (0.74) TAAR1IDO1AGXTNR3C2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B TAAR1 1034/4885IDO1 647/4885AGXT 949/4885

“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.