SCHEMBL14149451

SCHEMBL14149451

OC[C@H]1C[C@@H]1c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.43
SLC6A2 P23975 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2B P41595 2/20 0.36
SLC6A3 Q01959 2/20 0.36
FFAR1 O14842 1/20 0.36
GRIN2A Q12879 2/20 0.34
GRIA2 P42262 1/20 0.34
GRIN1 Q05586 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL14149191 0.80 PDE10A (0.37) PDE10A
SCHEMBL14726811 0.80 PDE10A (0.41) PDE10A
SCHEMBL14149197 0.79 PDE10A (0.43) PDE10AHTR2CHTR2BOPRM1OPRL1
SCHEMBL14726808 0.79 PDE10A (0.49) PDE10A
SCHEMBL26403587 0.79 PDE10A (0.33) PDE10A
SCHEMBL20059879 0.79 PDE10A (0.49) PDE10A
SCHEMBL26124540 0.79 PDE10A (0.49) PDE10A
SCHEMBL26403112 0.79 PDE10A (0.49) PDE10A
SCHEMBL17449566 0.79 PDE10A (0.49) PDE10A
SCHEMBL26124537 0.79 PDE10A (0.49) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 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-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A PDE10A 2/4885SLC6A2 445/4885HTR2A 321/4885
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS PDE10A, PDE12, PDE4A PDE10A 1/4885SLC6A2 756/4885HTR2A 149/4885

“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.