SCHEMBL14985173

SCHEMBL14985173

CC[C@H]1C[C@@H]1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.43

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
SCHEMBL25792450 1.00 PDE10A (0.43) PDE10A
SCHEMBL25053976 1.00 PDE10A (0.43) PDE10A
SCHEMBL902975 0.81 PDE10A (0.44) PDE10A
SCHEMBL14977342 0.81 PDE10A (0.44) PDE10A
SCHEMBL17799051 0.81 PDE10A (0.44) PDE10A
SCHEMBL901337 0.81 PDE10A (0.44) PDE10A
SCHEMBL16233261 0.81 PDE10A (0.49) PDE10A
SCHEMBL14981998 0.81 PDE10A (0.44) PDE10A
Hydrochloric Acid SCHEMBL27940047 0.80 PDE10A (0.40) PDE10A
SCHEMBL19013047 0.76 ALDH1A1 (0.42)

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
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US 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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 PDE10A 1/4885
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A PDE10A 4/4885

“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.