SCHEMBL3880958

SCHEMBL3880958

CCN(c1nc(-c2cccc(C)c2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.45
GALR1 P47211 2/20 0.45
HRH4 Q9H3N8 1/20 0.43
HSD11B1 P28845 12/20 0.43
PHGDH O43175 1/20 0.42
TRPA1 O75762 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
SCHEMBL3885699 0.91 HSD11B1 (0.49) GALR2GALR1HRH4HSD11B1TRPA1
SCHEMBL3889113 0.89 HRH4 (0.46) GALR2GALR1HRH4HSD11B1PHGDH
SCHEMBL3879976 0.89 TRPV1 (0.48) GALR2GALR1HRH4HSD11B1PHGDH
SCHEMBL3877081 0.88 GALR2 (0.43) GALR2GALR1HSD11B1PHGDH
SCHEMBL3886743 0.88 GALR2 (0.43) GALR2GALR1HSD11B1
SCHEMBL3884287 0.87 HSD11B1 (0.49) HRH4HSD11B1
SCHEMBL3891329 0.86 HSD11B1 (0.45) GALR2GALR1HSD11B1
SCHEMBL3877744 0.83 GALR2 (0.56) GALR2GALR1HRH4HSD11B1PHGDH
SCHEMBL3878613 0.82 GALR2 (0.57) GALR2GALR1HRH4HSD11B1TRPA1
SCHEMBL3876763 0.82 GALR2 (0.57) GALR2GALR1HRH4HSD11B1TRPA1

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 270/4885HRH4 17/4885

“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.