SCHEMBL3881099

SCHEMBL3881099

FC(F)(F)c1cc(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
MTOR P42345 4/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.45
CNR2 P34972 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL3889336 0.85 HSD17B10 (0.49) NPSR1MTORSMN1; SMN2TSHRBCHE
SCHEMBL13761287 0.83 HTT (0.61) NPSR1MTORL3MBTL1SMN1; SMN2TSHR
SCHEMBL3879447 0.83 HSD17B10 (0.54) NPSR1MTORSMN1; SMN2TSHRACHE
SCHEMBL3887621 0.81 PIK3CA (0.58) NPSR1MTORSMN1; SMN2TSHRBCHE
SCHEMBL3879427 0.81 PIK3CA (0.52) NPSR1MTORATMTDP1L3MBTL1
SCHEMBL3877695 0.81 PIK3CA (0.48) NPSR1MTORSMN1; SMN2TSHRHPGD
SCHEMBL3876007 0.81 MEN1 (0.51) NPSR1MTORSMN1; SMN2TSHRHPGD
SCHEMBL3885000 0.80 DYRK1A (0.52) NPSR1MTORATMTDP1L3MBTL1
SCHEMBL1124002 0.79 HPGD (0.60) NPSR1MTORSMN1; SMN2TSHRHPGD
SCHEMBL1123454 0.79 HPGD (0.60) NPSR1MTORSMN1; SMN2TSHRHPGD

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 NPSR1 264/4885MTOR 2949/4885ATM 4471/4885

“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.