SCHEMBL7835245

SCHEMBL7835245

CC(C)(C)OC(=O)NN1CCC(CN)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8177813 1.00 CTSK (0.39) CTSKACACBACACACA1CA2
SCHEMBL7835242 1.00 CTSK (0.39) CTSKACACBACACACA1CA2
SCHEMBL5653120 0.92 CA1 (0.40) CTSKCA1CA2ITGB3ITGA2B
SCHEMBL4524535 0.92 CA1 (0.40) CTSKCA1CA2ITGB3ITGA2B
SCHEMBL3625257 0.91 ACACB (0.40) CTSKACACBACACACA1CA2
SCHEMBL3410500 0.80 CTSK (0.41) CTSKCA1CA2ALDH1A1KMT2A
SCHEMBL15009171 0.80 NR1H2 (0.42) CTSKCA1CA2ALDH1A1KMT2A
SCHEMBL16419549 0.80 KMT2A (0.40) CTSKCA1CA2ALDH1A1KMT2A
SCHEMBL4505265 0.80 CTSK (0.38) CTSKACACBACACACA1CA2
SCHEMBL7441833 0.79 ACACB (0.40) CTSKACACBACACACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 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 (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-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CTSK 2589/4885ACACB 1212/4885ACACA 727/4885

“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.