SCHEMBL3880978

SCHEMBL3880978

C=CCN1CCN(c2nc(-c3cccc(F)c3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.48
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TRPA1 O75762 1/20 0.42
EPHX2 P34913 1/20 0.41
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
RBP4 P02753 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL3889159 0.91 HSD11B1 (0.56) HSD11B1TRPA1EPHX2RBP4TRPV1
SCHEMBL3888026 0.90 HSD11B1 (0.48) HSD11B1TRPA1EPHX2GALR2GALR1
SCHEMBL3887556 0.90 HSD11B1 (0.50) HSD11B1TRPA1EPHX2TRPV1
SCHEMBL3877712 0.90 HSD11B1 (0.51) HSD11B1EPHX2RBP4TRPV1
SCHEMBL3881000 0.89 HSD11B1 (0.46) HSD11B1GALR2GALR1TRPV1
SCHEMBL3883899 0.88 HSD11B1 (0.46) HSD11B1TRPA1EPHX2GALR2GALR1
SCHEMBL3879995 0.87 HSD11B1 (0.46) HSD11B1GALR2GALR1TRPV1
SCHEMBL3883433 0.86 GALR2 (0.51) HSD11B1TRPA1EPHX2GALR2GALR1
SCHEMBL3879853 0.86 HSD11B1 (0.48) HSD11B1EPHX2GALR2GALR1RBP4
SCHEMBL3879582 0.86 HSD11B1 (0.53) HSD11B1EPHX2RBP4TRPV1

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 HSD11B1 3915/4885DRD2 1731/4885DRD4 3687/4885

“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.