SCHEMBL5127866

SCHEMBL5127866

NC(=Nc1ccc(Cl)cc1)c1ccc2cc(O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.51
▸ ESR2 Q92731 4/20 0.51
▸ F12 P00748 1/20 0.49
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ SLC22A3 O75751 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NOS3 P29474 3/20 0.40
▸ NOS1 P29475 3/20 0.40
▸ NOS2 P35228 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40

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
SCHEMBL5119861 0.81 PTGS2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17666232 0.74 F12 (0.60) ESR1ESR2F12TDP1GRIN1
SCHEMBL19411892 0.74 F12 (0.60) ESR1ESR2F12TDP1GRIN1
SCHEMBL8328537 0.71 MEN1 (0.73) ESR1ESR2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL8328551 0.69 MEN1 (0.70) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL30199292 0.69 CYP1A2 (0.56) ESR1ESR2F12CYP2D6CYP2C19
SCHEMBL6356758 0.69 CYP1A2 (0.56) ESR1ESR2F12CYP2D6CYP2C19
SCHEMBL23411272 0.68 PLG (0.53) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL4856119 0.68 NOS3 (0.58) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL4864124 0.68 NOS3 (0.58) ESR1ESR2HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423149-B2 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2008-09-09 — — US disclosed
CN-1918114-A Substituted n-aryl amidines as selective d1 dopamine receptor antagonists for the treatment of obesity and cns disorders SCHERING CORP (US) 2007-02-21 — — CN disclosed
EP-1706375-A2 SUBSTITUTED N-ARYL AMIDINES AS SELECTIVE D1 DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND CNS DISORDERS SCHERING CORPORATION (US) 2006-10-04 — — EP disclosed
WO-2005063697-A2 SUBSTITUTED N-ARYL AMIDINES AS SELECTIVE D1 DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND CNS DISORDERS SCHERING CORPORATION (US) 2005-07-14 — — WO disclosed
US-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION 2005-06-23 — — 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-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders GPR119, GLP1R, DRD1 ESR1 478/4885ESR2 1564/4885F12 3147/4885

“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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