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SCHEMBL7537586

SCHEMBL7537586

N[C@@H]1CCCC[C@H]1OCc1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ BCHE P06276 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.43

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
SCHEMBL7537821 1.00 NPC1 (0.54) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL2121847 1.00 NPC1 (0.54) NPC1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL7540963 0.99 NPC1 (0.53) NPC1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL7540959 0.99 NPC1 (0.53) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL7537408 0.99 NPC1 (0.53) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL7537404 0.99 NPC1 (0.53) NPC1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL7539746 0.98 NPC1 (0.52) NPC1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL7539747 0.98 NPC1 (0.52) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL7538868 0.98 NPC1 (0.54) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL7538873 0.98 NPC1 (0.54) NPC1KDM4EALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676960-B1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS AVENTIS PHARM PROD INC (US) 2002-05-22 — — EP claimed
EP-0676960-A4 — — 1995-11-15 — — EP claimed
EP-0676960-A1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-10-18 — — EP claimed
US-5451596-A Cycloalkyl amine bis-aryl squalene synthase inhibitors RHONE POULENC RORER PHARMACEUTICALS INC. (US) 1995-09-19 — — US claimed
WO-1994014435-A1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-07 — — WO claimed
US-20090209510-A1 Novel Method of Treating Hyperlipidemia TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209510-A1 Novel Method of Treating Hyperlipidemia TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090118255-A1 Crp Lowering Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
US-20090118255-A1 Crp Lowering Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
US-20090082333-A1 REMEDY FOR XANTHOMA NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2009-03-26 — — US disclosed
US-20090082333-A1 REMEDY FOR XANTHOMA NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2009-03-26 — — US disclosed
US-20080113965-A1 Compound having inhibitory activity against squalene synthase or a salt or prodrug thereof, for example, N-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid; myalgia or rhabdomyolysis treatment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-15 — — US disclosed
US-20080113965-A1 Compound having inhibitory activity against squalene synthase or a salt or prodrug thereof, for example, N-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid; myalgia or rhabdomyolysis treatment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-15 — — US disclosed
EP-1889632-A1 REMEDY FOR XANTHOMA National University Corp. Kobe University (JP) 2008-02-20 — — EP disclosed
WO-2006129859-A2 COMBINATIONS OF A SQUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-07 — — 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 (4 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-20090082333-A1 REMEDY FOR XANTHOMA FDFT1, LSS, SQLE NPC1 132/4885KDM4E 1916/4885ALDH1A1 2400/4885
US-20090118255-A1 Crp Lowering Agent SPR, RBP1, HMGCR NPC1 1734/4885KDM4E 3914/4885ALDH1A1 1759/4885
US-20090209510-A1 Novel Method of Treating Hyperlipidemia HMGCR, LIPC, LIPA NPC1 98/4885KDM4E 2713/4885ALDH1A1 1664/4885
US-20080113965-A1 Compound having inhibitory activity against squalene synthase or a salt or prodrug thereof, for example, N-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid; myalgia or rhabdomyolysis treatment SQLE, DHPS, COASY NPC1 3626/4885KDM4E 1671/4885ALDH1A1 170/4885

“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.