SCHEMBL3582147

SCHEMBL3582147

O=C(c1ccccc1)N1CCN(c2ccc(OCCBr)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
DRD2 P14416 2/20 0.59
HTR2A P28223 2/20 0.59
KCNA5 P22460 4/20 0.59
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
DRD3 P35462 1/20 0.56
SLC6A7 Q99884 2/20 0.55
MAPT P10636 4/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL7804413 0.87 MAPT (0.60) LMNAALDH1A1DRD2HTR2AKCNA5
SCHEMBL3584184 0.87 LMNA (0.63) LMNAALDH1A1DRD2HTR2AKCNA5
SCHEMBL16150148 0.87 DRD2 (0.62) LMNAALDH1A1DRD2HTR2AKCNA5
SCHEMBL21987030 0.84 ITGB3 (0.62) LMNAALDH1A1DRD2HTR2APOLB
SCHEMBL3576860 0.83 DRD2 (0.70) ALDH1A1DRD2HTR2AKCNA5DRD3
SCHEMBL3579822 0.83 KCNA5 (0.71) ALDH1A1DRD2HTR2AKCNA5NPC1
SCHEMBL10914118 0.81 MAPT (0.60) LMNAALDH1A1NPC1DRD3MAPT
SCHEMBL16151037 0.81 MAPT (0.70) LMNAALDH1A1DRD2HTR2APOLB
SCHEMBL2767534 0.80 DRD2 (0.81) LMNAALDH1A1DRD2HTR2APOLB
SCHEMBL13438263 0.79 HRH3 (0.67) ALDH1A1DRD2HTR2AKCNA5DRD3

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 LMNA 4344/4885ALDH1A1 1903/4885DRD2 116/4885

“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.