SCHEMBL19990316

SCHEMBL19990316

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cn2)CC1CO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.48
▸ HDAC1 Q13547 1/20 0.41
▸ NR1H2 P55055 3/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.38
▸ SRC P12931 4/20 0.38

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
SCHEMBL31087073 1.00 GPR119 (0.48) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL19990317 1.00 GPR119 (0.48) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL31087051 0.89 GPR119 (0.47) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL24963028 0.87 GPR119 (0.47) GPR119NR1H2NR1H3CHRM1CHRM3
SCHEMBL29165873 0.87 GPR119 (0.47) GPR119NR1H2NR1H3CHRM1CHRM3
SCHEMBL31087035 0.86 GPR119 (0.46) GPR119HDAC1NR1H2NR1H3MAPT
SCHEMBL1448125 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL12740848 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL1448124 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL18149393 0.83 ACACB (0.42) CHRM5CHRM1CHRM3SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 — — US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 — — 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-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GPR119 976/4885HDAC1 1884/4885NR1H2 1005/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A GPR119 976/4885HDAC1 1884/4885NR1H2 1005/4885

“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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