SCHEMBL3889542

SCHEMBL3889542

CCOC(=O)C1CCN(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.45
RBP4 P02753 2/20 0.45
GALR2 O43603 4/20 0.43
GALR1 P47211 4/20 0.43
MAPT P10636 1/20 0.42
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 2/20 0.39

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
SCHEMBL3878553 0.92 GALR2 (0.43) MALT1RBP4GALR2GALR1MAPT
SCHEMBL3884310 0.89 TRPV1 (0.48) MALT1RBP4GALR2GALR1TRPV1
SCHEMBL3877244 0.88 MALT1 (0.50) MALT1RBP4GALR2GALR1TRPV1
SCHEMBL3876780 0.86 GALR2 (0.46) MALT1RBP4GALR2GALR1TRPA1
SCHEMBL14614071 0.86 MALT1 (0.49) MALT1RBP4GALR2GALR1TRPA1
SCHEMBL3880207 0.85 GALR2 (0.51) GALR2GALR1TRPV1HSD11B1
SCHEMBL3879421 0.85 GALR2 (0.45) MALT1RBP4GALR2GALR1TRPV1
SCHEMBL3885537 0.85 RBP4 (0.47) RBP4GALR2GALR1TRPA1TRPV1
SCHEMBL3881028 0.85 GALR2 (0.44) GALR2GALR1TRPA1TRPV1HSD11B1
SCHEMBL3881361 0.85 TRPV1 (0.47) MALT1RBP4GALR2GALR1TRPA1

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 MALT1 1393/4885RBP4 2234/4885GALR2 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.