SCHEMBL4154097

SCHEMBL4154097

C[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.46
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 1/20 0.43
PRCP P42785 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL28586691 1.00 AAK1 (0.46) AAK1TP53SMN1; SMN2TRPA1PRCP
SCHEMBL5111381 0.87 AAK1 (0.47) AAK1PRCPL3MBTL1TSHRLMNA
SCHEMBL2332614 0.85 AAK1 (0.51) AAK1TP53SMN1; SMN2TRPA1LMNA
SCHEMBL1481829 0.85 AAK1 (0.51) AAK1TP53SMN1; SMN2TRPA1LMNA
SCHEMBL12432831 0.85 L3MBTL1 (0.46) AAK1PRCPL3MBTL1TSHRLMNA
SCHEMBL12798924 0.85 AAK1 (0.48) AAK1PRCPL3MBTL1TSHR
SCHEMBL1391519 0.84 L3MBTL1 (0.47) AAK1SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL7921079 0.84 AAK1 (0.47) AAK1PRCPL3MBTL1TSHR
SCHEMBL1479007 0.84 AAK1 (0.49) AAK1TP53SMN1; SMN2TRPA1LMNA
SCHEMBL2332863 0.84 AAK1 (0.49) AAK1TP53SMN1; SMN2TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-07-15 US disclosed
CN-113166117-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-04-15 CN disclosed
EP-3891142-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-09-14 EP disclosed
CN-113166117-A Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2021-07-23 CN disclosed
WO-2020114949-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (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-12358910-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH AAK1 2597/4885TP53 416/4885SMN1; SMN2 3647/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 AAK1 3810/4885TP53 4776/4885SMN1; SMN2 1424/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 AAK1 4457/4885TP53 4746/4885SMN1; SMN2 1792/4885

“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.