SCHEMBL3885210

SCHEMBL3885210

CC(=O)c1nc(-c2ccc(F)c(C(C)=O)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
TRPV1 Q8NER1 3/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPA1 O75762 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RBP4 P02753 1/20 0.42
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42

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
SCHEMBL3876557 0.93 GAA (0.47) GAATRPV1HSD11B1ALDH1A1NPSR1
SCHEMBL3887718 0.91 GAA (0.46) GAATRPV1HSD11B1ALDH1A1NPSR1
SCHEMBL14614138 0.90 GAA (0.45) GAATRPV1HSD11B1ALDH1A1NPSR1
SCHEMBL3880682 0.90 HSD11B1 (0.46) GAATRPV1HSD11B1ALDH1A1TRPA1
SCHEMBL3878400 0.80 GAA (0.42) GAATRPV1HSD11B1NPSR1TRPA1
SCHEMBL3878407 0.80 GAA (0.42) GAATRPV1HSD11B1NPSR1TRPA1
SCHEMBL3878855 0.78 GALR2 (0.48) GAAHSD11B1GALR2GALR1
SCHEMBL3878643 0.77 TRPA1 (0.43) GAATRPV1HSD11B1TRPA1RBP4
SCHEMBL3879411 0.77 TRPA1 (0.47) GAATRPV1HSD11B1ALDH1A1NPSR1
SCHEMBL3877152 0.76 HSD11B1 (0.47) HSD11B1GALR2GALR1

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 GAA 1165/4885TRPV1 244/4885HSD11B1 3915/4885

“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.