SCHEMBL3885547

SCHEMBL3885547

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)nc(N3CCOCC3)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.45
GALR2 O43603 3/20 0.42
GALR1 P47211 3/20 0.42
HSD11B1 P28845 3/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
AKR1C3 P42330 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3880923 0.94 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1PIK3R1
SCHEMBL3878981 0.94 GALR2 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL3881863 0.93 GALR2 (0.49) TRPV1GALR2GALR1HSD11B1
SCHEMBL3889211 0.90 TRPV1 (0.46) TRPV1HSD11B1PIK3R1PIK3CAMTOR
SCHEMBL3950502 0.90 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1
SCHEMBL13761377 0.90 GALR2 (0.51) TRPV1GALR2GALR1PIK3R1PIK3CD
SCHEMBL3891337 0.90 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1PIK3R1
SCHEMBL3878649 0.90 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1
SCHEMBL3881345 0.89 NPSR1 (0.51) TRPV1HSD11B1PIK3R1PIK3CDPIK3C2B
SCHEMBL3880211 0.89 TRPV1 (0.43) TRPV1GALR2GALR1HSD11B1

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 244/4885GALR2 171/4885GALR1 270/4885

“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.