SCHEMBL3888946

SCHEMBL3888946

COc1ccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.57
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HSD17B10 Q99714 6/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3R1 P27986 2/20 0.51
MTOR P42345 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 4/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL3877790 0.89 MEN1 (0.53) PIK3CAMAPTL3MBTL1HSD17B10KDM4E
SCHEMBL13761287 0.87 HTT (0.61) PIK3CAMAPTL3MBTL1HSD17B10KDM4E
SCHEMBL3887621 0.85 PIK3CA (0.58) PIK3CAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL6736048 0.84 PIK3CA (0.66) PIK3CAMAPTL3MBTL1HSD17B10KDM4E
SCHEMBL3876007 0.84 MEN1 (0.51) PIK3CAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL3880584 0.84 BCHE (0.59) PIK3CAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL3879447 0.81 HSD17B10 (0.54) PIK3CAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL3993508 0.80 NPY1R (0.48) PIK3CAMAPTL3MBTL1HSD17B10KDM4E
SCHEMBL3877695 0.80 PIK3CA (0.48) PIK3CAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL3888339 0.80 ACHE (0.56) PIK3CAMAPTHSD17B10KDM4EALDH1A1

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 1107/4885MAPT 4004/4885L3MBTL1 4028/4885

“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.