Sugi Predict

Sugi Predict / Compounds / SCHEMBL901337

SCHEMBL901337

SCHEMBL901337

OC[C@H]1C[C@@H]1c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 13/20 0.44
▸ TRPM5 Q9NZQ8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ DOHH Q9BU89 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL902975 1.00 PDE10A (0.44) PDE10ATRPM5ALDH1A1NPC1MAPT
SCHEMBL17799051 1.00 PDE10A (0.44) PDE10ATRPM5ALDH1A1NPC1MAPT
SCHEMBL14977342 1.00 PDE10A (0.44) PDE10ATRPM5ALDH1A1NPC1MAPT
SCHEMBL25053976 0.81 PDE10A (0.43) PDE10A
SCHEMBL25792450 0.81 PDE10A (0.43) PDE10A
SCHEMBL14985173 0.81 PDE10A (0.43) PDE10A
Hydrochloric Acid SCHEMBL27940047 0.80 PDE10A (0.40) PDE10AALDH1A1NPC1MAPTRAB9A
SCHEMBL20285182 0.80 PARP16 (0.39) TRPM5ALDH1A1NPC1MAPTRAB9A
SCHEMBL14981998 0.77 PDE10A (0.44) PDE10A
SCHEMBL16233261 0.77 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922823-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-10-31 — — EP disclosed
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 — — EP disclosed
US-9663513-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 — — EP disclosed
US-9273033-B2 Substituted pyridone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-01 — — US disclosed
US-20150307489-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — US disclosed
US-20150291561-A1 SUBSTITUTED PYRIDONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-15 — — US 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-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 — — 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
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 — — US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 — — US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 — — US disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 — — WO disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE 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 (5 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A PDE10A 4/4885TRPM5 2074/4885ALDH1A1 977/4885
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A PDE10A 2/4885TRPM5 2911/4885ALDH1A1 795/4885
US-20150307489-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A PDE10A 2/4885TRPM5 2911/4885ALDH1A1 795/4885
US-20150291561-A1 SUBSTITUTED PYRIDONE DERIVATIVES AS PDE10 INHIBITORS PDE12, PDE10A, PDE4A PDE10A 2/4885TRPM5 2290/4885ALDH1A1 827/4885
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS PDE10A, PDE12, PDE4A PDE10A 1/4885TRPM5 3377/4885ALDH1A1 723/4885

“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.