SCHEMBL3886740

SCHEMBL3886740

CC(=N)N1CCN(c2nc(-c3ccc(F)c(C)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.49
GALR1 P47211 4/20 0.49
PHGDH O43175 1/20 0.43
GAA P10253 1/20 0.43
GRM5 P41594 3/20 0.42
HSD11B1 P28845 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TRPA1 O75762 1/20 0.40
GBA1 P04062 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL3880931 0.91 GALR2 (0.46) GALR2GALR1PHGDHGAAHSD11B1
SCHEMBL3878072 0.90 GALR2 (0.59) GALR2GALR1GBA1TRPV1
SCHEMBL3888381 0.89 GALR2 (0.61) GALR2GALR1GBA1TRPV1
SCHEMBL3877850 0.87 EPHX2 (0.54) GALR2GALR1TRPV1
SCHEMBL13761377 0.87 GALR2 (0.51) GALR2GALR1TRPV1
SCHEMBL3876561 0.86 TRPV1 (0.47) GALR2GALR1GAAGRM5HSD11B1
SCHEMBL3877704 0.86 GALR2 (0.50) GALR2GALR1HSD11B1TRPV1
SCHEMBL3877697 0.86 GALR2 (0.50) GALR2GALR1GAAGRM5HSD11B1
SCHEMBL3877905 0.85 GALR2 (0.48) GALR2GALR1PHGDHHSD11B1
SCHEMBL3888266 0.85 GALR2 (0.49) GALR2GALR1HSD11B1

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 GALR2 171/4885GALR1 270/4885PHGDH 2910/4885

“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.