SCHEMBL3877667

SCHEMBL3877667

FC(F)(F)c1cccnc1N1CCN(c2cc(CN3CCOCC3)nc(-c3cccc(Cl)c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
TRPA1 O75762 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 2/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL3582371 0.90 HSD11B1 (0.52) HSD11B1TRPA1NPSR1HTTPIK3CA
SCHEMBL3878542 0.89 TRPV1 (0.43) HSD11B1TRPA1ADORA2AADORA1PIK3CA
SCHEMBL3878966 0.85 HSD11B1 (0.48) HSD11B1TRPA1ADORA2AADORA1CNR2
SCHEMBL3884196 0.84 HSD11B1 (0.53) HSD11B1TRPA1NPSR1CNR2TRPV1
SCHEMBL3877647 0.83 HSD11B1 (0.52) HSD11B1TRPA1NPSR1PIK3CATRPV1
SCHEMBL3877143 0.80 PIK3CA (0.53) HSD11B1TRPA1NPSR1PIK3CACNR2
SCHEMBL3880843 0.80 PIK3CA (0.53) HSD11B1TRPA1NPSR1PIK3CACNR2
SCHEMBL3878605 0.80 HSD11B1 (0.49) HSD11B1TRPA1NPSR1PIK3CACNR2
SCHEMBL4029494 0.77 TRPV1 (0.48) ADORA2AADORA1LMNAKMT2AHTT
SCHEMBL3883941 0.77 ADORA2A (0.41) ADORA2AADORA1LMNAKMT2AHTT

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 HSD11B1 3915/4885TRPA1 714/4885ADORA2A 95/4885

“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.