SCHEMBL4924580

SCHEMBL4924580

COc1ncc(C(=O)c2ccc(F)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 1/20 0.47
PDE10A Q9Y233 1/20 0.44
LTA4H P09960 1/20 0.42
CTSA P10619 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SCN9A Q15858 4/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SCN5A Q14524 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 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
SCHEMBL4914995 0.81 NPSR1 (0.39) VNN1CTSASMN1; SMN2KDM4ESCN9A
SCHEMBL4915001 0.81 NPSR1 (0.39) VNN1CTSASMN1; SMN2KDM4ESCN9A
SCHEMBL27248000 0.77 ALDH1A1 (0.44) NPC1CTSASMN1; SMN2KDM4ESCN9A
SCHEMBL31599570 0.77 ALDH1A1 (0.44) NPC1CTSASMN1; SMN2KDM4ESCN9A
SCHEMBL31459066 0.77 TPMT (0.49) CTSAKDM4EALDH1A1
SCHEMBL1425009 0.77 TPMT (0.49) CTSAKDM4EALDH1A1
SCHEMBL1425265 0.75 MAPK1 (0.46) NPC1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4927538 0.74 NNMT (0.60) VNN1RXFP1NPC1PDE10ALTA4H
SCHEMBL25981388 0.73 NPC1 (0.59) VNN1RXFP1NPC1LTA4HSMN1; SMN2
SCHEMBL26168167 0.72 CYP2C9 (0.41) SMN1; SMN2SCN9ALMNAHPGD

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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy MCHR1, MCHR2, MC1R VNN1 4382/4885RXFP1 301/4885NPC1 381/4885

“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.