SCHEMBL3634792

SCHEMBL3634792

CCc1cccc(O)c1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.55
HTR1A P08908 2/20 0.55
HTR2A P28223 2/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 2/20 0.44
ANPEP P15144 1/20 0.43
DPP4 P27487 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ADRB1 P08588 5/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 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
SCHEMBL5915118 0.88 HTR2C (0.47) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL27433116 0.84 SLC6A4 (0.41) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL5915128 0.83 HTR2C (0.51) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL9272777 0.80 HTR6 (0.50) HTR2CHTR1AHTR2AHTR2BSLC6A4
SCHEMBL9283302 0.79 HTR2C (0.50) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL532400 0.78 ADRB1 (0.54) HTR1AKDM4EADRB1HTR3EHTR3B
SCHEMBL31122858 0.77 HTR2C (0.51) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL3639815 0.77 HTR2C (0.51) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL9272387 0.75 HTR6 (0.48) HTR2CHTR1AHTR2ADRD2DRD4
SCHEMBL2218392 0.74 SIGMAR1 (0.50) HTR2CHTR2ADRD2DRD4DRD3

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-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-20060246099-A1 Compositions containing piperazine compounds L'OREAL (FR) 2006-11-02 US disclosed
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists GLAXO GROUP LIMITED (GB) 2006-02-02 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 (3 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-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists HRH3, HRH4, HRH2 HTR2C 39/4885HTR1A 85/4885HTR2A 19/4885
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 HTR2C 25/4885HTR1A 39/4885HTR2A 18/4885
US-20060246099-A1 Compositions containing piperazine compounds KLF5, CUTA, COL2A1 HTR2C 537/4885HTR1A 1289/4885HTR2A 394/4885

“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.