SCHEMBL3782373

SCHEMBL3782373

CC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
DRD3 P35462 12/20 0.49
DRD2 P14416 12/20 0.49
HTR1A P08908 7/20 0.49
HTR2A P28223 4/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
KCNH2 Q12809 2/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48
MET P08581 1/20 0.46
ALK Q9UM73 1/20 0.46
DPP4 P27487 1/20 0.44

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
SCHEMBL16408968 1.00 NOTUM (0.50) NOTUMDRD3DRD2HTR1AHTR2A
SCHEMBL3782375 1.00 NOTUM (0.50) NOTUMDRD3DRD2HTR1AHTR2A
SCHEMBL16408948 1.00 NOTUM (0.50) NOTUMDRD3DRD2HTR1AHTR2A
SCHEMBL1095555 0.84 ESR1 (0.49) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL3282323 0.84 ESR1 (0.49) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL3282297 0.84 ESR1 (0.49) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL31121204 0.84 ESR1 (0.49) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL15679204 0.82 DRD3 (0.45) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL4929711 0.82 ESR2 (0.53) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL15650074 0.82 DRD3 (0.45) DRD3DRD2HTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 NOTUM 683/4885DRD3 279/4885DRD2 324/4885

“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.