SCHEMBL3901979

SCHEMBL3901979

O=CC1CC1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 1/20 0.43
SLC9A1 P19634 1/20 0.42
HSD17B10 Q99714 1/20 0.39
MDM2 Q00987 1/20 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
SCHEMBL2324658 0.81 KDM1A (0.52) HTR2CHTR2B
SCHEMBL2360390 0.81 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL6250772 0.81 KDM1A (0.47) HSD17B10
SCHEMBL11965121 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL2854689 0.81 KDM1A (0.52) HTR2CHTR2B
SCHEMBL7797793 0.81 DDB1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL2359931 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL2827719 0.81 KDM1A (0.52) HTR2CHTR2B
SCHEMBL26631497 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL27275649 0.80 HTR2A (0.41) HTR2AHTR2CHTR2BSLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed
CN-105531268-A Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV 2016-04-27 CN disclosed
WO-2010094029-A2 ASYMMETRIC CYCLOPROPANATION WITH SUCCINIMIDYL DIAZOACETATE UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-19 WO disclosed
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed
US-20030187267-A1 Novel 1,2,3,4-tetrahydroisoquinoline, their preparation method and their use as fungicides AVENTIS PHARMA S.A. (FR) 2003-10-02 US disclosed
EP-1272485-A1 NOVEL 1,2,3,4-TETRAHYDROSIOQUINOLINE, THEIR PREPARATION METHOD AND THEIR USE AS FUNGICIDES Aventis Pharma S.A. (FR) 2003-01-08 EP disclosed
WO-2001074808-A1 NOVEL 1,2,3,4-TETRAHYDROSIOQUINOLINE, THEIR PREPARATION METHOD AND THEIR USE AS FUNGICIDES AVENTIS PHARMA S.A. (FR) 2001-10-11 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 (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-20030187267-A1 Novel 1,2,3,4-tetrahydroisoquinoline, their preparation method and their use as fungicides CYP1A1, CBR3, HAAO HTR2A 1767/4885HTR2C 556/4885HTR2B 1827/4885

“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.