SCHEMBL13438201

SCHEMBL13438201

COC(=O)COc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCC(C)(C)C4)cc3)CC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
HRH1 P35367 2/20 0.54
MAOB P27338 1/20 0.43
DRD3 P35462 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNH2 Q12809 1/20 0.41
PKM P14618 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3583430 0.90 HRH3 (0.51) HRH3HRH1DRD3DRD2HTR2A
SCHEMBL13438153 0.85 HRH3 (0.49) HRH3SMN1; SMN2KCNH2KDM4E
SCHEMBL13438205 0.85 DRD2 (0.53) HRH3HRH1MAOBDRD3DRD2
SCHEMBL13437974 0.83 HRH3 (0.56) HRH3HRH1MAOBDRD3KCNH2
SCHEMBL13438243 0.81 HRH3 (0.53) HRH3HRH1DRD3DRD2HTR2A
SCHEMBL13438135 0.79 MAPT (0.42) MAPTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL14006676 0.79 HRH3 (0.64) HRH3HRH1KCNH2CYP2D6
SCHEMBL13438180 0.79 HRH3 (0.50) HRH3HRH1MAOBDRD3DRD2
SCHEMBL13438204 0.78 HRH3 (0.49) HRH3HRH1MAOBDRD3DRD2
SCHEMBL13438200 0.78 MEN1 (0.56) HRH3HRH1MAOBDRD3DRD2

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-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
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
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 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-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 HRH3 1/4885HRH1 4/4885MAOB 1078/4885

“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.