SCHEMBL3879447

SCHEMBL3879447

Cc1cc(C)cc(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PIK3CA P42336 7/20 0.50
MTOR P42345 6/20 0.50
PIK3R1 P27986 4/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
PIK3CG P48736 2/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CB P42338 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL3888339 0.91 ACHE (0.56) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL13761287 0.86 HTT (0.61) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3889336 0.86 HSD17B10 (0.49) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3876007 0.83 MEN1 (0.51) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3880584 0.83 BCHE (0.59) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3881099 0.83 NPSR1 (0.53) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3887124 0.83 HPGD (0.50) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL3884243 0.82 PIK3CA (0.54) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL1124002 0.82 HPGD (0.60) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL1123454 0.82 HPGD (0.60) HSD17B10KDM4EHPGDMAPTTSHR

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 HSD17B10 3040/4885KDM4E 3890/4885HPGD 952/4885

“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.