SCHEMBL4711520

SCHEMBL4711520

CCNC(=O)CN1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.65
CHRM5 P08912 2/20 0.61
CHRM3 P20309 2/20 0.61
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10698614 0.98 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL14369164 0.98 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL1905216 0.85 SIGMAR1 (0.71) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL1900359 0.82 SIGMAR1 (0.67) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL19010425 0.82 ALDH1A1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL8023138 0.82 ALDH1A1 (0.67) SIGMAR1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10687011 0.81 SIGMAR1 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL8395095 0.81 SIGMAR1 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL6632135 0.81 SIGMAR1 (0.60) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A
SCHEMBL255416 0.80 CHRM5 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-09-14 US disclosed
CN-107001325-B O-formamido benzamide compound and application thereof 江苏中旗科技股份有限公司 2020-06-16 CN disclosed
CN-107001325-A O-formamido benzamide compound and application thereof 江苏中旗作物保护股份有限公司 2017-08-01 CN disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
EP-1797062-B1 ALKYNYL BASED DERVATIVES OF BENZOPHENONE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
EP-1874739-B1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2010-05-26 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 SIGMAR1 1093/4885CHRM5 542/4885CHRM3 470/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A SIGMAR1 1391/4885CHRM5 143/4885CHRM3 74/4885
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 SIGMAR1 118/4885CHRM5 1255/4885CHRM3 1452/4885
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE DMPK, PDXK, NIM1K SIGMAR1 1834/4885CHRM5 245/4885CHRM3 615/4885

“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.