SCHEMBL3878249

SCHEMBL3878249

COc1ccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N3CCCC3C)n2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.54
GALR1 P47211 3/20 0.54
TRPV1 Q8NER1 3/20 0.47
S1PR1 P21453 2/20 0.44
RBP4 P02753 4/20 0.43
MALT1 Q9UDY8 1/20 0.43
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3880583 0.91 TRPV1 (0.50) GALR2GALR1TRPV1HSD11B1
SCHEMBL3884084 0.89 TRPV1 (0.49) GALR2GALR1TRPV1HSD11B1
SCHEMBL3878712 0.88 TRPV1 (0.48) GALR2GALR1TRPV1HSD11B1
SCHEMBL3885631 0.88 TRPV1 (0.51) GALR2GALR1TRPV1S1PR1HSD11B1
SCHEMBL3885630 0.87 TRPV1 (0.49) GALR2GALR1TRPV1HSD11B1
SCHEMBL3888315 0.87 GALR2 (0.52) GALR2GALR1TRPV1S1PR1HSD11B1
SCHEMBL3877173 0.87 TRPV1 (0.48) GALR2GALR1TRPV1HSD11B1
SCHEMBL3880079 0.87 TRPV1 (0.48) GALR2GALR1TRPV1HSD11B1KDM4E
SCHEMBL3878659 0.87 TRPV1 (0.49) GALR2GALR1TRPV1S1PR1HSD11B1
SCHEMBL3881448 0.86 TRPV1 (0.52) GALR2GALR1TRPV1HSD11B1

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 GALR2 171/4885GALR1 270/4885TRPV1 244/4885

“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.