SCHEMBL1404530

SCHEMBL1404530

Clc1[c]ccc(-c2ncon2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
PPARA Q07869 1/20 0.32
FAAH O00519 1/20 0.31
KCNH2 Q12809 1/20 0.31
KAT6A Q92794 1/20 0.31
LRRK2 Q5S007 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL23167084 0.79 KAT6A (0.36) KMOPPARAKAT6ALRRK2
SCHEMBL70649 0.74 KMO (0.37) KMOPPARA
SCHEMBL5584076 0.72 AHR (0.35)
SCHEMBL1545373 0.71 IDO1 (0.46) KMOKAT6A
SCHEMBL15637876 0.70 HDAC3 (0.35)
SCHEMBL1404517 0.70 L3MBTL1 (0.57)
SCHEMBL3398203 0.70 KMO (0.47) KMOFAAHKCNH2SLC2A1
SCHEMBL493735 0.70 KMO (0.44) KMOPPARAFAAHKCNH2SLC2A1
SCHEMBL29045053 0.68 PPARA (0.40) KMOPPARA
SCHEMBL17984217 0.66 GP6 (0.44) KMOPPARAKAT6ALRRK2

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-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
EP-2109615-B1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-03-09 EP disclosed
EP-2109615-A1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-10-21 EP disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
WO-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 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 (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-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH KMO 473/4885PPARA 179/4885FAAH 3/4885

“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.