SCHEMBL17464693

SCHEMBL17464693

CCO[C@@H](C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(C2=NN=C(C)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.59
PDE2A O00408 1/20 0.59
PDE5A O76074 1/20 0.59
ABCB1 P08183 5/20 0.33
PDE4A P27815 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CHEK1 O14757 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PDE4B Q07343 2/20 0.30
PDE4D Q08499 2/20 0.30
PDE7A Q13946 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE7B Q9NP56 1/20 0.30

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
SCHEMBL17464699 1.00 PDE10A (0.59) PDE10APDE2APDE5AABCB1PDE4A
SCHEMBL17464694 1.00 PDE10A (0.59) PDE10APDE2APDE5AABCB1PDE4A
SCHEMBL17471103 0.82 PDE10A (0.64) PDE10APDE2APDE5ASMN1; SMN2MAPT
SCHEMBL17464704 0.81 PDE10A (0.86) PDE10APDE2APDE5AALOX5PTGS1
SCHEMBL17471106 0.81 PDE10A (0.86) PDE10APDE2APDE5AALOX5PTGS1
SCHEMBL17464697 0.81 PDE10A (0.86) PDE10APDE2APDE5AALOX5PTGS1
SCHEMBL18905618 0.79 PDE10A (0.55) PDE10APDE2APDE5AHTTSMN1; SMN2
SCHEMBL18412709 0.79 PDE10A (0.71) PDE10APDE2APDE5AALOX5PTGS1
SCHEMBL18859031 0.77 PDE10A (0.55) PDE10APDE2APDE5AABCB1ALOX5
SCHEMBL18412693 0.76 PDE10A (0.81) PDE10APDE2APDE5AALOX5PTGS1

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-9850238-B2 Optically active PDE10 inhibitor OMEROS CORPORATION (US) 2017-12-26 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

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-20170096420-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PDE10A 2/4885PDE2A 5/4885PDE5A 4/4885
US-20160024070-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PDE10A 2/4885PDE2A 5/4885PDE5A 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.