SCHEMBL898737

SCHEMBL898737

COC(=O)C1CC1c1ccc(OC)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PDE10A Q9Y233 13/20 0.44
ITK Q08881 1/20 0.42
NAAA Q02083 1/20 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
SCHEMBL14059631 0.86 PDE10A (0.52) FFAR1PDE10A
SCHEMBL901669 0.86 PDE10A (0.52) FFAR1PDE10A
SCHEMBL20198842 0.84 PDE10A (0.45) FFAR1MAPTRAB9APDE10A
SCHEMBL20198858 0.84 PDE10A (0.45) FFAR1MAPTRAB9APDE10A
SCHEMBL20198855 0.84 PDE10A (0.45) FFAR1MAPTRAB9APDE10A
SCHEMBL20198853 0.84 PDE10A (0.45) FFAR1MAPTRAB9APDE10A
SCHEMBL30504107 0.82 KDM4E (0.40) FFAR1NPC1RAB9APDE10A
SCHEMBL20185097 0.82 KDM4E (0.40) FFAR1NPC1RAB9APDE10A
SCHEMBL29057348 0.82 KDM4E (0.40) FFAR1NPC1RAB9APDE10A
SCHEMBL29057350 0.82 KDM4E (0.40) FFAR1NPC1RAB9APDE10A

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
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
EP-2621276-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012044561-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 FFAR1 2798/4885NPC1 3209/4885MAPT 1478/4885

“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.