SCHEMBL3876074

SCHEMBL3876074

Cc1cc(NS(C)(=O)=O)cnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCCC3C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.37
MTOR P42345 1/20 0.35
SLC9A1 P19634 4/20 0.35
MAP3K12 Q12852 1/20 0.34
SMO Q99835 3/20 0.34
CHRM4 P08173 2/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL3877628 0.88 SLC9A1 (0.41) SLC9A1
SCHEMBL907705 0.85 SLC9A1 (0.36) SCN9ASLC9A1MAP3K12
SCHEMBL908196 0.85 MAP3K12 (0.40) MTORSLC9A1MAP3K12
SCHEMBL3877165 0.84 SLC9A1 (0.41) SLC9A1MAP3K12
SCHEMBL908028 0.83 HRH4 (0.36) SLC9A1MAP3K12
SCHEMBL3875754 0.82 TRPV1 (0.37) SLC9A1MAP3K12CHRM4
SCHEMBL4257261 0.81 MAP3K12 (0.39) SLC9A1MAP3K12AXL
SCHEMBL908447 0.80 CHRNB1 (0.36) SLC9A1MAP3K12AXL
SCHEMBL3880083 0.79 SLC9A1 (0.45) SLC9A1MAP3K12
SCHEMBL907898 0.79 MPL (0.45)

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 8 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
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 SCN9A 3553/4885MTOR 2949/4885SLC9A1 4039/4885

“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.