SCHEMBL18145689

SCHEMBL18145689

COCC1CCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 2/20 0.45
▸ PDE10A Q9Y233 2/20 0.40
▸ MAP3K12 Q12852 1/20 0.39
▸ ADORA2A P29274 7/20 0.38
▸ ADORA1 P30542 4/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CDC42BPB Q9Y5S2 1/20 0.38
▸ IMPDH2 P12268 1/20 0.36
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ ACACB O00763 2/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL31217392 1.00 ADRA1A (0.45) ADRA1APDE10AMAP3K12ADORA2AADORA1
SCHEMBL18145687 1.00 ADRA1A (0.45) ADRA1APDE10AMAP3K12ADORA2AADORA1
SCHEMBL31217226 0.85 MKNK1 (0.43) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL31217260 0.85 MKNK1 (0.43) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL31217410 0.83 PIK3CD (0.34) ADRA1A
SCHEMBL31217345 0.82 MTOR (0.35) MAP3K12
SCHEMBL18450679 0.82 MTOR (0.35) MAP3K12
SCHEMBL31217353 0.81 MKNK1 (0.40) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL15879358 0.79 MAP3K12 (0.37) PDE10AMAP3K12
SCHEMBL14701431 0.79 MAP3K12 (0.37) PDE10AMAP3K12

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-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 — — US disclosed
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-08-02 — — US disclosed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 — — US disclosed
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — 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 (3 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-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A ADRA1A 440/4885PDE10A 1366/4885MAP3K12 60/4885
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A ADRA1A 440/4885PDE10A 1366/4885MAP3K12 60/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A ADRA1A 440/4885PDE10A 1366/4885MAP3K12 60/4885

“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.

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