SCHEMBL1012890

SCHEMBL1012890

Nc1ccc2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.63
MCHR1 Q99705 13/20 0.61
PLAU P00749 1/20 0.61
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
CCR6 P51684 1/20 0.56

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
Bromide SCHEMBL5753024 0.98 NCF1 (0.61) NCF1MCHR1PLAUKDM4EMAPT
SCHEMBL5884112 0.94 NCF1 (0.67) NCF1MCHR1PLAU
SCHEMBL729315 0.84 MEN1 (0.54) NCF1PLAUKDM4EMAPTCCR6
SCHEMBL9951781 0.83 MEN1 (0.55) NCF1KDM4EMAPTCCR6
SCHEMBL7256252 0.82 MCHR1 (0.68) NCF1MCHR1
SCHEMBL28284853 0.81 MEN1 (0.59) KDM4EMAPTCCR6
SCHEMBL3949886 0.81 MEN1 (0.78) KDM4EMAPTCCR6
SCHEMBL731221 0.81 KDM4E (0.56) KDM4EMAPTCCR6
SCHEMBL18438857 0.81 MEN1 (0.61) KDM4EMAPTCCR6
SCHEMBL5884239 0.81 MCHR1 (0.57) NCF1MCHR1PLAU

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989392-B2 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBOTT LABORATORIES (US) 2006-01-24 US claimed
US-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBVIE INC. 2004-04-01 US claimed
WO-2003105850-A1 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2003-12-24 WO claimed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
US-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBVIE INC. 2004-04-01 US disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
WO-2003105850-A1 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2003-12-24 WO disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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 (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-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists MCHR1, MCHR2, MC1R NCF1 3219/4885MCHR1 1/4885PLAU 3907/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2546/4885MCHR1 455/4885PLAU 3213/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2644/4885MCHR1 465/4885PLAU 3149/4885

“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.