SCHEMBL3883380

SCHEMBL3883380

Clc1cccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.50
MTOR P42345 8/20 0.50
HRH4 Q9H3N8 1/20 0.49
PIK3CD O00329 5/20 0.47
PIK3CG P48736 4/20 0.47
CNR2 P34972 1/20 0.46
STK4 Q13043 2/20 0.46
STK3 Q13188 2/20 0.46
TRPA1 O75762 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PIK3R1 P27986 1/20 0.43

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
SCHEMBL3878934 0.89 PIK3CA (0.51) PIK3CAMTORHRH4PIK3CDPIK3CG
SCHEMBL3877689 0.87 MTOR (0.45) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL3877647 0.87 HSD11B1 (0.52) PIK3CAMTORTRPA1PIK3R1
SCHEMBL3876045 0.85 PIK3CA (0.57) PIK3CAMTORPIK3CGCNR2STK4
SCHEMBL3878772 0.84 CNR2 (0.57) PIK3CAMTORHRH4PIK3CDPIK3CG
SCHEMBL3880570 0.82 KDM4E (0.48) PIK3CAMTORPIK3CDCNR2STK4
SCHEMBL5451317 0.82 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL8012871 0.78 PIK3CA (0.79) PIK3CAMTORHRH4PIK3CDPIK3CG
SCHEMBL164174 0.78 CYP1A2 (0.56) PIK3CACNR2TRPA1LRRK2
SCHEMBL3879649 0.77 TRPV1 (0.50) PIK3CAMTORCNR2

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 PIK3CA 1107/4885MTOR 2949/4885HRH4 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.