SCHEMBL3889943

SCHEMBL3889943

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N3CCCC3C)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
GALR2 O43603 4/20 0.47
GALR1 P47211 4/20 0.47
KHK P50053 2/20 0.39
MAP3K12 Q12852 1/20 0.38

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
SCHEMBL3878216 0.97 TRPV1 (0.48) TRPV1GALR2GALR1KHK
SCHEMBL3884237 0.95 GALR2 (0.46) TRPV1GALR2GALR1
SCHEMBL3888879 0.93 TRPV1 (0.49) TRPV1GALR2GALR1KHKMAP3K12
SCHEMBL3953510 0.93 TRPV1 (0.45) TRPV1GALR2GALR1KHK
SCHEMBL3879378 0.91 TRPV1 (0.47) TRPV1GALR2GALR1
SCHEMBL3878207 0.91 GRM5 (0.41) TRPV1GALR2GALR1KHKMAP3K12
SCHEMBL3878587 0.91 GRM5 (0.41) TRPV1GALR2GALR1KHKMAP3K12
SCHEMBL3887226 0.90 TRPV1 (0.45) TRPV1GALR2GALR1KHK
SCHEMBL3878916 0.90 GALR2 (0.46) TRPV1GALR2GALR1
SCHEMBL3879868 0.90 TRPV1 (0.50) TRPV1GALR2GALR1KHK

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 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.