SCHEMBL14149205

SCHEMBL14149205

Cc1nc([C@H]2C[C@@H]2CO)cs1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
MAPK1 P28482 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
ECE1 P42892 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
PDE9A O76083 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
LMNA P02545 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
SCHEMBL14060102 0.69 GPR88 (0.44) GPR88ALDH1A1GAAMAPTRAB9A
SCHEMBL14149184 0.69 GPR88 (0.44) GPR88ALDH1A1GAAMAPTRAB9A
SCHEMBL14726887 0.69 ENPP3 (0.33)
SCHEMBL14726813 0.68 DPP4 (0.33) ALDH1A1IRAK4
SCHEMBL8003695 0.67
SCHEMBL16001746 0.67 PDE10A (0.32) PDE10AALDH1A1
SCHEMBL14842296 0.67 PDE10A (0.32) PDE10AALDH1A1
SCHEMBL14726945 0.67 PDE10A (0.39) PDE10A
SCHEMBL17449566 0.66 PDE10A (0.49) PDE10A
SCHEMBL14726808 0.66 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 2/4885MAPK1 2017/4885GPR88 1882/4885
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS PDE10A, PDE12, PDE4A PDE10A 1/4885MAPK1 1928/4885GPR88 2053/4885

“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.