SCHEMBL3884944

SCHEMBL3884944

Cc1cn(-c2nc(-c3cccc(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
TRPA1 O75762 1/20 0.45
GALR2 O43603 3/20 0.44
GALR1 P47211 3/20 0.44
PHGDH O43175 1/20 0.40
RBP4 P02753 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
SCHEMBL3890116 0.90 HSD11B1 (0.44) HSD11B1TRPA1GALR2GALR1PHGDH
SCHEMBL3944861 0.85 HSD11B1 (0.47) HSD11B1TRPA1GALR2GALR1RBP4
SCHEMBL3879429 0.85 HSD11B1 (0.53) HSD11B1TRPA1GALR2GALR1RBP4
SCHEMBL3878561 0.84 TRPA1 (0.46) HSD11B1TRPA1GALR2GALR1RBP4
SCHEMBL3877143 0.82 PIK3CA (0.53) HSD11B1TRPA1GALR2GALR1
SCHEMBL3880843 0.82 PIK3CA (0.53) HSD11B1TRPA1GALR2GALR1
SCHEMBL14613836 0.79 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL3877200 0.79 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL3880078 0.79 HSD11B1 (0.51) HSD11B1TRPA1RBP4
SCHEMBL3889383 0.78 HSD11B1 (0.48) HSD11B1TRPA1GALR2GALR1RBP4

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 HSD11B1 3915/4885TRPA1 714/4885GALR2 171/4885

“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.