SCHEMBL3880982

SCHEMBL3880982

Fc1cc(-c2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.52
MTOR P42345 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48
HSD11B1 P28845 4/20 0.47

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
SCHEMBL3878783 0.93 TRPV1 (0.52) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3877292 0.92 TRPV1 (0.53) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3891316 0.92 TRPV1 (0.53) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3877775 0.91 MTOR (0.50) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3996553 0.89 MTOR (0.48) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3878663 0.89 MTOR (0.48) TRPV1MTORHSD11B1
SCHEMBL3877210 0.88 HSD11B1 (0.53) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3876584 0.87 TRPV1 (0.49) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3877647 0.87 HSD11B1 (0.52) TRPV1MTORPIK3R1PIK3CAHSD11B1
SCHEMBL3888789 0.87 MTOR (0.49) TRPV1MTORPIK3R1PIK3CAHSD11B1

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 244/4885MTOR 2949/4885PIK3R1 1228/4885

“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.