SCHEMBL3883483

SCHEMBL3883483

CC1CN(c2ncccc2Cl)CCN1c1cc(-c2cccc(C#N)c2)nc(N2CCCC2C)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
TRPV1 Q8NER1 8/20 0.44
PIK3CD O00329 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
MTOR P42345 1/20 0.41
LRRK2 Q5S007 4/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
PDE4D Q08499 1/20 0.39
USP30 Q70CQ3 1/20 0.38
PRKCQ Q04759 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL13761528 1.00 SYK (0.46) SYKTRPV1PIK3CDEGLN2MTOR
SCHEMBL13761523 0.92 EGLN2 (0.48) SYKTRPV1PIK3CDEGLN2
SCHEMBL3891035 0.92 EGLN2 (0.48) SYKTRPV1PIK3CDEGLN2
SCHEMBL3878523 0.92 TRPV1 (0.45) SYKTRPV1PIK3CDMTORLRRK2
SCHEMBL13761531 0.91 TRPV1 (0.43) SYKTRPV1PIK3CDEGLN2
SCHEMBL3882205 0.91 TRPV1 (0.43) SYKTRPV1PIK3CDEGLN2
SCHEMBL3879359 0.89 PDE4D (0.46) TRPV1PIK3CDMTORLRRK2PDE4D
SCHEMBL13761529 0.89 PDE4D (0.46) TRPV1PIK3CDMTORLRRK2PDE4D
SCHEMBL3881501 0.87 TRPV1 (0.47) SYKTRPV1MTOR
SCHEMBL13761534 0.87 TRPV1 (0.47) SYKTRPV1MTOR

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-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

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 SYK 2406/4885TRPV1 244/4885PIK3CD 1504/4885

“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.