SCHEMBL16707015

SCHEMBL16707015

CCOC(C(=O)N(C)OC)c1ccc(-c2cnccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC4 P56524 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PORCN Q9H237 4/20 0.36
FAAH O00519 1/20 0.36
DHODH Q02127 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
BRS3 P32247 1/20 0.34
PIM2 Q9P1W9 2/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL2387519 0.88 HDAC4 (0.41) CYP2D6CYP19A1CYP2C9CYP2C19HDAC4
SCHEMBL18395926 0.75 FAAH (0.34) FAAH
SCHEMBL2386801 0.74 CYP2D6 (0.44) CYP2D6CYP19A1CYP2C9CYP2C19HDAC4
SCHEMBL2385799 0.74 MEN1 (0.39) CA1CA2HSD17B10FAAH
SCHEMBL17232434 0.73 PDE10A (0.54) CYP2C9CYP2C19HSD17B10FAAH
SCHEMBL17464696 0.73 FAAH (0.36) FAAH
SCHEMBL18173545 0.71 PDE10A (0.42) CYP2C9CYP2C19HSD17B10FAAH
SCHEMBL18173590 0.70 PDE10A (0.41) CYP2C9CYP2C19HSD17B10FAAH
SCHEMBL2386039 0.70 MKNK1 (0.44) CYP19A1
SCHEMBL18859036 0.68 FAAH (0.38) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 US disclosed
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 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 (1 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-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CYP2D6 691/4885CYP19A1 1777/4885CYP2C9 384/4885

“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.