SCHEMBL18173590

SCHEMBL18173590

CCOC(C(=O)N(C)OC)c1ccc(-c2nnc(CBr)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 1/20 0.38
FAAH O00519 1/20 0.36
HPGD P15428 3/20 0.34
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
USP2 O75604 1/20 0.32
GLS O94925 5/20 0.32
NR1H4 Q96RI1 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
SCHEMBL18173545 0.90 PDE10A (0.42) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL18173543 0.87 PDE10A (0.40) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL17232434 0.86 PDE10A (0.54) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL2389849 0.74 PDE10A (0.43) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL2385799 0.73 MEN1 (0.39) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL17464696 0.70 FAAH (0.36) PDE10APDE2APDE5AFAAH
SCHEMBL16707015 0.70 CYP2D6 (0.42) HSD17B10FAAHCYP2C9CYP2C19
SCHEMBL17232419 0.69 PDE10A (0.57) PDE10APDE2APDE5AKDM4EALDH1A1
SCHEMBL18395926 0.68 FAAH (0.34) FAAH
SCHEMBL2542170 0.67 KDM4E (0.58) KDM4EALDH1A1RAB9AHSD17B10TP53

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
EP-3285760-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2018-02-28 EP disclosed
US-9879002-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-01-30 US disclosed
US-9879002-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-01-30 US disclosed
US-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-01-26 US disclosed
US-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-01-26 US disclosed
WO-2016172573-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2016-10-27 WO disclosed
WO-2016172573-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2016-10-27 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 (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-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PDE10A 1/4885PDE2A 9/4885PDE5A 12/4885

“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.