SCHEMBL3882230

SCHEMBL3882230

Clc1ccc(-c2cc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.57
PIK3CA P42336 5/20 0.54
MAP3K12 Q12852 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
MTOR P42345 6/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ATM Q13315 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
SCHEMBL3877825 1.00 HSD17B10 (0.57) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL3878726 0.89 PIK3CA (0.60) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL3884319 0.89 PIK3CA (0.52) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL3881560 0.87 PIK3CA (0.55) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL3877343 0.87 PIK3CA (0.55) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL1124002 0.84 HPGD (0.60) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL1123454 0.84 HPGD (0.60) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL3879584 0.84 LMNA (0.52) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL5449021 0.83 HPGD (0.52) HSD17B10HPGDMAPTTSHRLMNA
SCHEMBL1821190 0.83 PIK3CA (0.81) PIK3CAMTOR

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 HSD17B10 3040/4885HPGD 952/4885MAPT 4004/4885

“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.