SCHEMBL517349

SCHEMBL517349

CCCNC(=O)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.73
EPHX1 P07099 2/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 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
SCHEMBL8690270 1.00 NAAA (0.73) NAAAEPHX1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28065417 0.98 NAAA (0.71) NAAAEPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8140520 0.98 NAAA (0.70) NAAAEPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1768014 0.94 NAAA (0.65) NAAAEPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL103494 0.89
SCHEMBL2639022 0.88 NAAA (0.86) NAAAEPHX1SMN1; SMN2HSD17B10GAA
SCHEMBL6359440 0.88 NAAA (0.86) NAAAEPHX1SMN1; SMN2HSD17B10GAA
SCHEMBL3184451 0.87 NAAA (0.66) NAAAEPHX1SMN1; SMN2HSD17B10MEN1
SCHEMBL4555028 0.86 NAAA (0.96) NAAAEPHX1GAAKEAP1NFE2L2
SCHEMBL2736687 0.86 NAAA (0.83) NAAAEPHX1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed
WO-2008119719-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 US disclosed
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-110049983-B Pharmaceutical compounds 细胞中心有限公司 2022-06-14 CN disclosed
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-06-10 US disclosed
US-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2021-05-20 US disclosed
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed
CN-107842706-B running-in method for reducing friction coefficient between metal friction pairs QILU UNIVERSITY OF TECHNOLOGY (CN) 2019-12-10 CN disclosed
EP-1539774-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2005-06-15 EP disclosed
WO-2004018489-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-04 WO 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

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-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS NEK4, NEK2, NEK1 NAAA 2538/4885EPHX1 3411/4885ALDH1A1 4787/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP NAAA 189/4885EPHX1 1122/4885ALDH1A1 2650/4885
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NAAA 4321/4885EPHX1 3770/4885ALDH1A1 3433/4885
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors NEK4, NEK2, NEK1 NAAA 2538/4885EPHX1 3411/4885ALDH1A1 4787/4885

“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.