SCHEMBL3882205

SCHEMBL3882205

CC1CN(c2ncccc2Cl)CCN1c1cc(-c2cncc(C#N)c2)nc(N2CCCC2C)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.43
EGLN2 Q96KS0 1/20 0.40
PIK3CD O00329 1/20 0.38
SGPL1 O95470 5/20 0.37
SMO Q99835 3/20 0.37
SYK P43405 1/20 0.37
MAP3K12 Q12852 3/20 0.36

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
SCHEMBL13761531 1.00 TRPV1 (0.43) TRPV1EGLN2PIK3CDSGPL1SMO
SCHEMBL3880528 0.92 TRPV1 (0.44) TRPV1PIK3CDSGPL1SMO
SCHEMBL13761528 0.91 SYK (0.46) TRPV1EGLN2PIK3CDSYK
SCHEMBL3883483 0.91 SYK (0.46) TRPV1EGLN2PIK3CDSYK
SCHEMBL13761502 0.90 TRPV1 (0.49) TRPV1SYKMAP3K12
SCHEMBL13761523 0.90 EGLN2 (0.48) TRPV1EGLN2PIK3CDSGPL1SMO
SCHEMBL3891035 0.90 EGLN2 (0.48) TRPV1EGLN2PIK3CDSGPL1SMO
SCHEMBL3881501 0.89 TRPV1 (0.47) TRPV1SYKMAP3K12
SCHEMBL13761534 0.89 TRPV1 (0.47) TRPV1SYKMAP3K12
SCHEMBL13761519 0.85 TRPV1 (0.50) TRPV1

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 TRPV1 244/4885EGLN2 618/4885PIK3CD 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.