SCHEMBL4966959

SCHEMBL4966959

CCC[CH]c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
MAPT P10636 2/20 0.45
IDO1 P14902 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
AMY1A P0DUB6 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL232201 0.87 CYP2A6 (0.60) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL7371792 0.82 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL287210 0.77 CYP2A6 (0.49) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL287209 0.77 CYP2A6 (0.49) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL663629 0.76 CYP2A6 (0.61) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29933771 0.76 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL9837473 0.76 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL9837467 0.76 CYP2A6 (0.47) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL10105480 0.75 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL7271231 0.75 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2

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
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
WO-2018209343-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS: SMALL MOLECULE ANTICANCER AGENTS RAJUR SHARANAPPA BASAPPA (US) 2018-11-15 WO disclosed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
US-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 US disclosed
US-20070027093-A1 Anorectic JAPAN TOBACCO INC. (JP) 2007-02-01 US disclosed
EP-1718309-A2 ANORECTIC COMPOUNDS Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 WO disclosed
WO-2001035964-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2001-05-25 WO disclosed
US-6066672-A OF GIVEN FORMULA COMPRISING A SUBSTITUTED AMINOALKYL(AMIDO OR ALKYLAMINO)ALKYL(AMIDO OR ALKYLAMINO)ALKYL(ALKENE, ALKYL OR ALKOXYCARBONYL) TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0882699-A1 AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-12-09 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 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 (2 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-20070027093-A1 Anorectic DGAT1, DGAT2, GPR119 CYP2A6 1726/4885MAPT 2279/4885IDO1 2509/4885
US-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CYP2A6 264/4885MAPT 3691/4885IDO1 2135/4885

“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.