SCHEMBL3879829

SCHEMBL3879829

COc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N3CCOCC3)n2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.51
GALR1 P47211 4/20 0.51
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3R1 P27986 5/20 0.46
PIK3CA P42336 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3C2B O00750 1/20 0.46
AKR1C3 P42330 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46

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
SCHEMBL3889151 0.92 PIK3R1 (0.47) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3883524 0.89 GALR2 (0.50) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3883478 0.89 GALR2 (0.49) GALR2GALR1PIK3R1PIK3CAPIK3CD
SCHEMBL3878776 0.88 CYP1A2 (0.64) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3877995 0.88 KDM4E (0.61) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3876770 0.88 KDM4E (0.61) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3880529 0.87 TRPV1 (0.49) GALR2GALR1L3MBTL1PIK3R1PIK3CA
SCHEMBL3885550 0.87 GALR2 (0.53) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3891305 0.87 GALR2 (0.53) GALR2GALR1CYP1A2CYP3A4CYP2C9
SCHEMBL3878577 0.87 GALR2 (0.54) GALR2GALR1L3MBTL1PIK3R1PIK3CA

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 GALR2 171/4885GALR1 270/4885CYP1A2 405/4885

“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.