SCHEMBL3880079

SCHEMBL3880079

COc1cccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N3CCCC3C)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
GALR2 O43603 2/20 0.48
GALR1 P47211 2/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TRPA1 O75762 2/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD11B1 P28845 2/20 0.44
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
CLK4 Q9HAZ1 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
SCHEMBL3879440 0.92 TRPV1 (0.48) TRPV1GALR2GALR1HSD17B10MAPK1
SCHEMBL3888315 0.91 GALR2 (0.52) TRPV1GALR2GALR1HSD17B10KDM4E
SCHEMBL3878287 0.89 GALR2 (0.58) TRPV1GALR2GALR1HSD17B10MAPK1
SCHEMBL3878477 0.89 TRPV1 (0.50) TRPV1GALR2GALR1TRPA1HSD11B1
SCHEMBL3884278 0.89 TRPV1 (0.50) TRPV1GALR2GALR1TRPA1HSD11B1
SCHEMBL3876551 0.89 GALR2 (0.59) TRPV1GALR2GALR1HSD17B10MAPK1
SCHEMBL3888400 0.88 TRPV1 (0.54) TRPV1TRPA1HSD11B1
SCHEMBL3876152 0.88 TRPV1 (0.49) TRPV1GALR2GALR1TRPA1HSD11B1
SCHEMBL3878249 0.87 GALR2 (0.54) TRPV1GALR2GALR1HSD17B10KDM4E
SCHEMBL3881886 0.86 TRPV1 (0.48) TRPV1GALR2GALR1TRPA1HSD11B1

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 5 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 claimed
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.