SCHEMBL17464702

SCHEMBL17464702

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
PDE10A Q9Y233 3/20 0.32
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
PPARA Q07869 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL17464696 0.83 FAAH (0.36) PDE10APDE2APDE5A
SCHEMBL17464703 0.80 PTGS2 (0.39) PTGS2BCHEACHERAB9A
SCHEMBL19914142 0.78 PTGS2 (0.33) PTGS2BCHEACHE
SCHEMBL27688938 0.75 PTGS2 (0.53) PTGS2PPARACYP1A2CYP2C9CYP2C19
SCHEMBL24327752 0.75 FFAR1 (0.47) PTGS2PPARALMNABCHEACHE
SCHEMBL17464694 0.74 PDE10A (0.59) PTGS2PDE10APDE2APDE5A
SCHEMBL17464699 0.74 PDE10A (0.59) PTGS2PDE10APDE2APDE5A
SCHEMBL17464693 0.74 PDE10A (0.59) PTGS2PDE10APDE2APDE5A
SCHEMBL2388630 0.72 TP53 (0.44) PDE10APDE2APDE5ARAB9A
SCHEMBL10355170 0.72 ESR1 (0.44) PTGS2PPARACYP1A2CYP3A4LMNA

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 661/4885PDE10A 2/4885PDE2A 5/4885
US-20180057484-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR PDE3A, PDE3B, PDE5A PTGS2 284/4885PDE10A 5/4885PDE2A 4/4885
US-20160024069-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR PDE3A, PDE3B, PDE5A PTGS2 284/4885PDE10A 5/4885PDE2A 4/4885
US-20160024070-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PTGS2 731/4885PDE10A 2/4885PDE2A 5/4885

“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.