SCHEMBL1810307

SCHEMBL1810307

CCNC(=O)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NAAA Q02083 1/20 0.58
EPHX1 P07099 2/20 0.57
CYP3A4 P08684 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
BCHE P06276 1/20 0.50
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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 0.98 NAAA (0.61) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL61528 0.98 NAAA (0.61) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL19669659 0.98 NAAA (0.61) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL1768082 0.95
SCHEMBL1678458 0.90
Hydrochloric Acid SCHEMBL28988641 0.88
SCHEMBL5909129 0.86 BCHE (0.47) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL22276366 0.85 EPHX1 (0.58) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL19289784 0.84 NAAA (0.53) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4
SCHEMBL23890497 0.82 KMT2A (0.45) SMN1; SMN2HSD17B10NAAAEPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718785-B2 1,3-Disubstituted cyclopentane derivatives MERCK PATENT GMBH (DE) 2017-08-01 US claimed
US-20160176824-A1 1,3-DISUBSTITUTED CYCLOPENTANE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-23 US claimed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US claimed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US claimed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
WO-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
US-4889946-A Phenoxybenzoic acid compounds and herbicidal and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1989-12-26 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 (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-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 SMN1; SMN2 4761/4885HSD17B10 2088/4885NAAA 1735/4885
US-20160176824-A1 1,3-DISUBSTITUTED CYCLOPENTANE DERIVATIVES FASN, FADS1, COASY SMN1; SMN2 1991/4885HSD17B10 235/4885NAAA 2357/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 SMN1; SMN2 3120/4885HSD17B10 2894/4885NAAA 4519/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB SMN1; SMN2 4745/4885HSD17B10 2041/4885NAAA 1769/4885

“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.