SCHEMBL17464703

SCHEMBL17464703

CCOC(OCC)c1ccc(C2=NN=C(C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
ACHE P22303 7/20 0.39
BCHE P06276 6/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19914142 0.91 PTGS2 (0.33) PTGS2ACHEBCHE
SCHEMBL17464702 0.80 PTGS2 (0.34) PTGS2ACHEBCHERAB9A
SCHEMBL17464696 0.75 FAAH (0.36)
SCHEMBL6394314 0.73 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL27432182 0.73 NISCH (0.40) NPC1RAB9A
SCHEMBL14016423 0.72 NPC1 (0.41) ACHENPC1RAB9A
SCHEMBL3906858 0.69 ACHE (0.50) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL22311218 0.69 PTGS2 (0.46) PTGS2ACHEBCHE
SCHEMBL12427251 0.68 DDX3X (0.41) NPC1RAB9A
SCHEMBL15442019 0.67 ACHE (0.49) PTGS2ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057484-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR OMEROS CORP (US) 2018-03-01 US disclosed
US-9850238-B2 Optically active PDE10 inhibitor OMEROS CORPORATION (US) 2017-12-26 US disclosed
US-9650368-B2 Processes and intermediates for the preparation of a PDE10 inhibitor OMEROS CORPORATION (US) 2017-05-16 US disclosed
US-20170096420-A1 OPTICALLY ACTIVE PDE10 INHIBITOR OMEROS CORPORATION 2017-04-06 US disclosed
US-9493447-B2 Optically active PDE10 inhibitor OMEROS CORPORATION (US) 2016-11-15 US disclosed
US-20160024070-A1 OPTICALLY ACTIVE PDE10 INHIBITOR OMEROS CORPORATION 2016-01-28 US disclosed
US-20160024069-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR OMEROS CORPORATION 2016-01-28 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 (4 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-20170096420-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PTGS2 661/4885ACHE 350/4885BCHE 3677/4885
US-20180057484-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR PDE3A, PDE3B, PDE5A PTGS2 284/4885ACHE 87/4885BCHE 1672/4885
US-20160024069-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR PDE3A, PDE3B, PDE5A PTGS2 284/4885ACHE 87/4885BCHE 1672/4885
US-20160024070-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PTGS2 731/4885ACHE 360/4885BCHE 3708/4885

“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.