SCHEMBL3577152

SCHEMBL3577152

O=C(OCc1ccccc1)N1CCN(c2ccc(OC3CCNCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TMEM97 Q5BJF2 6/20 0.48
▸ SIGMAR1 Q99720 6/20 0.48
▸ HTR1A P08908 3/20 0.48
▸ HRH2 P25021 3/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.48
▸ ADRA2C P18825 2/20 0.48
▸ ADRA2A P08913 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ DRD1 P21728 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
SCHEMBL4619201 0.85 SMN1; SMN2 (0.54) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4691214 0.85 HRH3 (0.52) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3577661 0.85 SIGMAR1 (0.60) HRH1TMEM97SIGMAR1HTR1AHRH2
SCHEMBL5273706 0.84 GPR119 (0.55) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3580284 0.84 GPR119 (0.55) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5273710 0.84 SMN1; SMN2 (0.50) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31198846 0.83 SMN1; SMN2 (0.54) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5371762 0.83 SMN1; SMN2 (0.51) HRH1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5272987 0.82 MAPT (0.45) HRH1SMN1; SMN2HRH3MAPT
SCHEMBL9727540 0.80 NPSR1 (0.68) HRH1SMN1; SMN2NPC1RAB9ACYP2C19

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 HRH1 4/4885SMN1; SMN2 1112/4885NPC1 1374/4885

“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.

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