SCHEMBL3584765

SCHEMBL3584765

N#Cc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.61
LMNA P02545 4/20 0.58
GAA P10253 2/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SLC6A7 Q99884 2/20 0.57
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
POLB P06746 3/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL22627287 0.88 LMNA (0.70) LMNAGAAHTTMAPTALDH1A1
SCHEMBL94245 0.87 NAMPT (0.60) NAMPTLMNAMAPTALDH1A1HSD17B10
SCHEMBL20639683 0.87 GPR183 (0.64) NAMPTLMNAMAPTALDH1A1SLC6A7
SCHEMBL25160076 0.87 GPR183 (0.64) NAMPTLMNAMAPTALDH1A1SLC6A7
SCHEMBL25160524 0.87 NAMPT (0.60) NAMPTLMNAMAPTALDH1A1SLC6A7
SCHEMBL20347007 0.87 LMNA (0.67) NAMPTLMNAMAPTALDH1A1USP2
SCHEMBL7781694 0.84 KDM4E (0.67) LMNAGAAMAPTALDH1A1POLB
SCHEMBL7954884 0.84 SLC6A7 (0.63) NAMPTGAAALDH1A1HSD17B10SLC6A7
SCHEMBL3577850 0.81 HSP90AA1 (0.76) NAMPTLMNAGAAHTTMAPT
SCHEMBL27304746 0.81 GAA (0.67) LMNAGAAHTTMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 WO 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 NAMPT 3039/4885LMNA 4344/4885GAA 2804/4885

“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.