SCHEMBL61528

SCHEMBL61528

CCNC(=O)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
EPHX1 P07099 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP3A4 P08684 1/20 0.53
RAB9A P51151 1/20 0.53
BCHE P06276 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7484827 1.00 NAAA (0.61) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL19669659 1.00 NAAA (0.61) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL1810307 0.98 SMN1; SMN2 (0.61) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL1768082 0.93
SCHEMBL1678458 0.88
SCHEMBL22276366 0.87 EPHX1 (0.58) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL19289784 0.86 NAAA (0.53) NAAAEPHX1SMN1; SMN2HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL28988641 0.86
SCHEMBL5909129 0.84 BCHE (0.47) NAAAEPHX1SMN1; SMN2HSD17B10CYP3A4
SCHEMBL517349 0.83 NAAA (0.73) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8

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 231 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261628-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER King Abdullah University Of Science And Technology (SA) 2018-01-03 EP claimed
WO-2016135633-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE & TECHNOLOGY (SA) 2016-09-01 WO claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP claimed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO claimed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2023125473-A1 INDOLINE COMPOUNDS AND DERIVATIVES THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国药科大学 2023-07-06 WO disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2023288242-A1 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
US-4889946-A Phenoxybenzoic acid compounds and herbicidal and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1989-12-26 US disclosed
US-4380452-A PYRIDONE SUBSTITUTED MONOAZO DYE BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
US-4305718-A MONOAZO DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1981-12-15 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 (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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 NAAA 3488/4885EPHX1 841/4885SMN1; SMN2 2343/4885

“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.