SCHEMBL1547058

SCHEMBL1547058

CC(C)(C)NC(=O)CN1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.63
CHRM5 P08912 2/20 0.59
CHRM3 P20309 2/20 0.59
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
CACNA1H O95180 1/20 0.51
KMT2A Q03164 2/20 0.46
CACNA1I Q9P0X4 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL20946422 1.00 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL19640159 0.98 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2009825 0.98 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL26129894 0.98 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6474887 0.91 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL22883481 0.89 SIGMAR1 (0.52) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL22883386 0.88 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL20661394 0.84 SIGMAR1 (0.48) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL10101745 0.82 ALDH1A1 (0.71) SIGMAR1ALDH1A1SMN1; SMN2CACNA1HKMT2A
SCHEMBL18743780 0.82 ALDH1A1 (0.66) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192664-A2 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A DIAZASPIROHEPTANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
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
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
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US 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 (5 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A SIGMAR1 1391/4885CHRM5 143/4885CHRM3 74/4885
US-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C SIGMAR1 3877/4885CHRM5 3828/4885CHRM3 2359/4885
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SIGMAR1 1615/4885CHRM5 3038/4885CHRM3 4310/4885
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
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 SIGMAR1 2590/4885CHRM5 4495/4885CHRM3 3057/4885

“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.