SCHEMBL4151864

SCHEMBL4151864

COc1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
PIK3CA P42336 6/20 0.46
PIK3CB P42338 1/20 0.43
MAP3K12 Q12852 1/20 0.42
MAP4K1 Q92918 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3877751 0.89 PIK3CA (0.50) MTORTSHRHSD17B10PIK3CAMAP3K12
SCHEMBL3887144 0.89 PIK3CA (0.50) MTORTSHRHSD17B10PIK3CAMAP3K12
SCHEMBL3877301 0.89 PIK3CA (0.48) MTORTSHRHSD17B10KDM4EHPGD
SCHEMBL3879387 0.87 PIK3CA (0.49) MTORPIK3CAPIK3CBMAP3K12
SCHEMBL3888444 0.85 TRPV1 (0.49) MTORPIK3CAPIK3CBMAP3K12GALR2
SCHEMBL3878644 0.85 TRPV1 (0.49) MTORPIK3CAPIK3CBMAP3K12GALR2
SCHEMBL3879003 0.84 MALT1 (0.46) MTORKDM4EPIK3CAMAP3K12L3MBTL1
SCHEMBL907686 0.84 MTOR (0.47) MTORTSHRHSD17B10CYP3A4PIK3CA
SCHEMBL3884319 0.84 PIK3CA (0.52) MTORTSHRHSD17B10KDM4EHPGD
SCHEMBL908479 0.83 CYP1A2 (0.55) MTORCYP1A2CYP2C9CYP2C19PIK3CA

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 MTOR 2949/4885TSHR 74/4885HSD17B10 3040/4885

“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.