SCHEMBL3877709

SCHEMBL3877709

CC(C)c1nc(Cl)cc(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.43
KMO O15229 2/20 0.42
ABL1 P00519 1/20 0.41
CASP1 P29466 1/20 0.39
CNR2 P34972 2/20 0.38
HSD17B14 Q9BPX1 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CNR1 P21554 1/20 0.37
PGR P06401 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGS2 P35354 3/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3878704 0.85 ABL1 (0.45) TRPV3KMOABL1CASP1CNR2
SCHEMBL908228 0.79 KMO (0.47) TRPV3KMOABL1CASP1HSD17B14
SCHEMBL603699 0.76 KDM4E (0.56) ADORA2AADORA1SMN1; SMN2
SCHEMBL3878881 0.73 KMO (0.45) TRPV3KMOABL1CASP1HSD17B14
SCHEMBL16629552 0.73 HSD17B14 (0.48) TRPV3KMOABL1CASP1CNR2
SCHEMBL16533657 0.72 TRPV3 (0.41) TRPV3KMOABL1CASP1CNR2
SCHEMBL908558 0.71 NISCH (0.46) KMOABL1CASP1NISCHPGR
SCHEMBL16517647 0.71 ABL1 (0.42) TRPV3KMOABL1CASP1CNR2
SCHEMBL16533668 0.71 ABL1 (0.51) TRPV3KMOABL1CASP1CNR2
SCHEMBL29670409 0.71 ABL1 (0.42) TRPV3KMOABL1CASP1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG TRPV3 404/4885KMO 1042/4885ABL1 2088/4885

“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.