SCHEMBL4029494

SCHEMBL4029494

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(CN2CCOCC2)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.48
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
SLC6A7 Q99884 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
PDE4B Q07343 1/20 0.37
CXCR3 P49682 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3883941 0.93 ADORA2A (0.41) TRPV1ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL13766108 0.90 DRD2 (0.39) TRPV1ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL3882749 0.90 DRD2 (0.39) TRPV1ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL3878542 0.90 TRPV1 (0.43) TRPV1ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL3880037 0.81 TRPV1 (0.50) TRPV1PIK3CACNR2
SCHEMBL3879649 0.81 TRPV1 (0.50) TRPV1PIK3CACNR2
SCHEMBL3602231 0.80 TRPV1 (0.49) TRPV1PIK3CDPIK3CALMNAMAPT
SCHEMBL13761235 0.80 TRPV1 (0.49) TRPV1PIK3CDPIK3CALMNAMAPT
SCHEMBL3877667 0.77 HSD11B1 (0.48) TRPV1ADORA2AADORA1PIK3CALMNA
SCHEMBL3881376 0.75 TRPV1 (0.46) TRPV1ADORA2AADORA1PIK3CDPIK3CA

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 4 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

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 244/4885ADORA2A 95/4885ADORA1 185/4885

“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.