SCHEMBL17558248

SCHEMBL17558248

O=C(O)N1CCCC1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.69
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
EPHX2 P34913 2/20 0.56
HSD11B1 P28845 2/20 0.56
SCD5 Q86SK9 5/20 0.55
SCD O00767 3/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
PPID Q08752 1/20 0.49

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
SCHEMBL1853141 1.00 RIPK1 (0.69) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL1847627 1.00 RIPK1 (0.69) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL216202 0.95 RIPK1 (0.62) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL27574946 0.95 RIPK1 (0.62) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL27574934 0.95 RIPK1 (0.62) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
Water SCHEMBL27700791 0.93 RIPK1 (0.60) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL311128 0.90 RIPK1 (0.57) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL17026995 0.89 RIPK1 (0.67) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL3062584 0.87 RIPK1 (0.67) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1
SCHEMBL27659813 0.86 RIPK1 (0.57) RIPK1HSP90AA1HSP90AB1EPHX2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828369-B2 Isoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARPE & DOHME CORP. (US) 2017-11-28 US claimed
US-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US claimed
EP-3188731-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 Merck Sharp & Dohme Corp. (US) 2017-07-12 EP claimed
WO-2016036638-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2016-03-10 WO claimed
EP-4612156-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
EP-4305021-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2024-01-17 EP disclosed
WO-2022192562-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2022-09-15 WO disclosed
CN-112010861-A PDE9 inhibitors having an imidazotriazinone backbone and an imidazopyrazinone backbone for the treatment of peripheral diseases H.隆德贝克有限公司 2020-12-01 CN disclosed
CN-107810187-B PDE9 inhibitors having an imidazotriazinone backbone and an imidazopyrazinone backbone for the treatment of peripheral diseases H.隆德贝克有限公司 2020-09-15 CN disclosed
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 RIPK1 3151/4885HSP90AA1 2660/4885HSP90AB1 2555/4885

“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.