SCHEMBL6853669

SCHEMBL6853669

C[C@@H](COc1cncc(Br)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.43
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6853676 1.00 AAK1 (0.43) AAK1MTNR1AMTNR1BTRPA1CYP1A2
SCHEMBL6855122 0.86 AAK1 (0.47) AAK1CYP1A2CYP3A4CYP2C19
SCHEMBL6854987 0.86 AAK1 (0.47) AAK1CYP1A2CYP3A4CYP2C19
SCHEMBL14005405 0.85 SCN9A (0.39) AAK1MTNR1AMTNR1BTRPA1
SCHEMBL6855273 0.83 TRPA1 (0.36) AAK1MTNR1AMTNR1BTRPA1
SCHEMBL6855278 0.83 TRPA1 (0.36) AAK1MTNR1AMTNR1BTRPA1
SCHEMBL6853437 0.82 CTSK (0.42) AAK1
SCHEMBL6853436 0.82 CTSK (0.42) AAK1
SCHEMBL25075129 0.81 MTNR1A (0.51) AAK1MTNR1AMTNR1B
SCHEMBL6854852 0.81 AAK1 (0.37) AAK1TRPA1CYP1A2CYP3A4CYP2C19

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
WO-2023020479-A1 PARP7 INHIBITOR AND APPLICATION THEREOF 重庆华森制药股份有限公司 2023-02-23 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AAK1 149/4885MTNR1A 4425/4885MTNR1B 4077/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AAK1 149/4885MTNR1A 4425/4885MTNR1B 4077/4885

“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.