SCHEMBL15048243

SCHEMBL15048243

C[C@H](NC(=O)OCc1ccccc1)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.49
▸ USP30 Q70CQ3 1/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ P2RX7 Q99572 8/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SYK P43405 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ YAP1 P46937 1/20 0.44

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
SCHEMBL15075586 1.00 ACACB (0.49) ACACBUSP30BACE1P2RX7CYP3A4
SCHEMBL16214228 0.93 ACACB (0.54) ACACBUSP30BACE1P2RX7YAP1
SCHEMBL18459339 0.87 YAP1 (0.48) BACE1P2RX7CYP3A4TSHRYAP1
SCHEMBL18459337 0.87 YAP1 (0.48) BACE1P2RX7CYP3A4TSHRYAP1
SCHEMBL15083952 0.87 CCR1 (0.48) BACE1P2RX7CYP3A4TSHRSYK
SCHEMBL16187531 0.85 ACACB (0.54) ACACBUSP30
SCHEMBL18176134 0.85 ACACB (0.54) ACACBUSP30
SCHEMBL15901017 0.83 ACACB (0.59) ACACBCYP3A4TSHR
SCHEMBL15048018 0.82 ACACB (0.63) ACACB
SCHEMBL15048067 0.82 ACACB (0.63) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — 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 (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-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL ACACB 870/4885USP30 680/4885BACE1 2558/4885

“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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