SCHEMBL17199602

SCHEMBL17199602

CC1CC(n2cc([N+](=O)[O-])cn2)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GPR119 Q8TDV5 8/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ F2 P00734 2/20 0.33
▸ PLAU P00749 2/20 0.33
▸ ELANE P08246 2/20 0.33
▸ PREP P48147 2/20 0.33
▸ HSD11B1 P28845 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
SCHEMBL27040991 0.89 CHRM2 (0.48) ALDH1A1LMNAMAPTGPR119CHRM2
SCHEMBL27040994 0.89 CHRM2 (0.48) ALDH1A1LMNAMAPTGPR119CHRM2
SCHEMBL15728634 0.89 CHRM2 (0.48) ALDH1A1LMNAMAPTGPR119CHRM2
SCHEMBL30955751 0.85 GPR119 (0.41) ALDH1A1LMNAMAPTGAACYP2C9
SCHEMBL30955761 0.85 GPR119 (0.41) ALDH1A1LMNAMAPTGAACYP2C9
SCHEMBL16423801 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGAACYP2C9
SCHEMBL18383164 0.81 LMNA (0.42) ALDH1A1LMNAMAPTGAACYP2C9
SCHEMBL18383167 0.81 LMNA (0.42) ALDH1A1LMNAMAPTGAACYP2C9
SCHEMBL22587586 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL17187785 0.81 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 — — US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 — — US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 — — US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 — — US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 — — US disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 — — 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 (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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 ALDH1A1 1550/4885LMNA 2236/4885MAPT 3679/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 ALDH1A1 1550/4885LMNA 2236/4885MAPT 3679/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 ALDH1A1 1582/4885LMNA 2324/4885MAPT 3593/4885

“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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