SCHEMBL760648

SCHEMBL760648

CC(C)(C)NC(=O)OCCCCBr

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ACHE P22303 13/20 0.39
FAAH O00519 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CTSK P43235 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
SCHEMBL21596988 0.98 EPHX1 (0.43) EPHX1ACHEFAAHCA12CA1
SCHEMBL25362201 0.98 EPHX1 (0.43) EPHX1ACHEFAAHCA12CA1
SCHEMBL759928 0.94 EPHX1 (0.37) EPHX1ACHEFAAHCA12CA1
SCHEMBL759990 0.86 ACHE (0.32) EPHX1ACHE
SCHEMBL21059108 0.82 EPHX1 (0.60) EPHX1ACHEFAAH
SCHEMBL13278329 0.82 ACHE (0.51) EPHX1ACHECA12CA1CA2
SCHEMBL21059244 0.81 EPHX1 (0.63) EPHX1ACHEFAAH
SCHEMBL29163511 0.81 EPHX1 (0.63) EPHX1ACHEFAAH
SCHEMBL28804144 0.81 EPHX1 (0.63) EPHX1ACHEFAAH
SCHEMBL17670555 0.81 EPHX1 (0.40) EPHX1ACHECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277974-B 2-phenylcyclopropylmethylamine derivative, and preparation method and use thereof 上海科技大学 2023-04-07 CN disclosed
CN-109071552-B Degradation of cyclin dependent kinase 4/6(CDK4/6) by conjugation of CDK4/6 inhibitors to E3 ligase ligands and methods of use 达纳-法伯癌症研究所公司 2022-06-03 CN disclosed
CN-113277974-A 2-phenylcyclopropylmethylamine derivative, and preparation method and use thereof 上海科技大学 2021-08-20 CN disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
CN-101389608-A 5-HT7Receptor antagonists ESTEVE LABOR DR (ES) 2009-03-18 CN 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 (1 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-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 EPHX1 1930/4885ACHE 2857/4885FAAH 3947/4885

“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.