SCHEMBL18696975

SCHEMBL18696975

CCC(=O)N1CCC(I)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA3 P32297 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CHRNB3 Q05901 1/20 0.44
▸ CHRNA6 Q15825 1/20 0.44
▸ EPHX1 P07099 2/20 0.43
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL4578708 0.81 EPHX2 (0.50) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL15615966 0.80 ALDH1A1 (0.41) EPHX2ALDH1A1NPC1
SCHEMBL10282539 0.80 ALDH1A1 (0.67) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL14996187 0.80 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7487836 0.80 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL4518519 0.79 GNAI3 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL21429965 0.79 ALDH1A1 (0.41) EPHX2ALDH1A1NPC1
SCHEMBL4487574 0.78 EPHX2 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL16077702 0.78 EPHX2 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL11717 0.78 GNAI3 (0.61) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 — — WO disclosed
US-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2019-07-02 — — US disclosed
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-07-05 — — US disclosed
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 — — 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-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 EPHX2 3397/4885ALDH1A1 1772/4885CHRNB2 412/4885
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 EPHX2 3426/4885ALDH1A1 1786/4885CHRNB2 406/4885

“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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