SCHEMBL5515829

SCHEMBL5515829

CN(C)CCC(O)c1nc(-c2ccc(F)c(F)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.39
GALR1 P47211 2/20 0.39
HSD11B1 P28845 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RBP4 P02753 1/20 0.37
EPHX2 P34913 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
SCHEMBL14583744 0.84 TRPV1 (0.41) GALR2GALR1HSD11B1GAATRPV1
SCHEMBL3878855 0.80 GALR2 (0.48) GALR2GALR1HSD11B1GAAEPHX2
SCHEMBL3880973 0.80 GALR2 (0.44) GALR2GALR1GAANPC1RAB9A
SCHEMBL3877289 0.79 HSD11B1 (0.43) GALR2GALR1HSD11B1EPHX2
SCHEMBL3878777 0.78 GALR2 (0.43) GALR2GALR1HSD11B1TRPV1EPHX2
SCHEMBL3876557 0.78 GAA (0.47) GALR2GALR1HSD11B1GAATRPV1
SCHEMBL3876842 0.77 HSD11B1 (0.49) HSD11B1TRPV1
SCHEMBL3878407 0.76 GAA (0.42) GALR2GALR1HSD11B1GAATRPV1
SCHEMBL3878400 0.76 GAA (0.42) GALR2GALR1HSD11B1GAATRPV1
SCHEMBL3881067 0.75 HSD11B1 (0.40) GALR2GALR1HSD11B1TRPV1

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 3 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-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 GALR2 171/4885GALR1 270/4885HSD11B1 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.