SCHEMBL3883941

SCHEMBL3883941

Cc1cccnc1N1CCN(c2cc(CN3CCOCC3)nc(-c3cccc(Cl)c3)n2)[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TRPV1 Q8NER1 6/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
AVPR1A P37288 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PDE10A Q9Y233 1/20 0.37
SLC6A7 Q99884 1/20 0.37
HTT P42858 1/20 0.37
PDE4B Q07343 1/20 0.36
CNR2 P34972 1/20 0.36
SLC2A1 P11166 1/20 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
SCHEMBL4029494 0.93 TRPV1 (0.48) ADORA2AADORA1TRPV1PIK3CDPIK3CA
SCHEMBL3878542 0.89 TRPV1 (0.43) ADORA2AADORA1TRPV1PIK3CDPIK3CA
SCHEMBL3882749 0.89 DRD2 (0.39) ADORA2AADORA1TRPV1PIK3CDPIK3CA
SCHEMBL13766108 0.89 DRD2 (0.39) ADORA2AADORA1TRPV1PIK3CDPIK3CA
SCHEMBL3883895 0.81 PIK3CA (0.45) TRPV1PIK3CAAVPR1ALMNAMAPT
SCHEMBL3877667 0.77 HSD11B1 (0.48) ADORA2AADORA1TRPV1PIK3CALMNA
SCHEMBL3882209 0.74 MTOR (0.45) TRPV1PIK3CAAVPR1ALMNA
SCHEMBL3880037 0.73 TRPV1 (0.50) TRPV1PIK3CACNR2
SCHEMBL3879649 0.73 TRPV1 (0.50) TRPV1PIK3CACNR2
SCHEMBL3602231 0.72 TRPV1 (0.49) TRPV1PIK3CDPIK3CALMNAMAPT

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 ADORA2A 95/4885ADORA1 185/4885TRPV1 244/4885

“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.