SCHEMBL105115

SCHEMBL105115

CC(C)(C)OCN1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
CXCR4 P61073 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL27767769 0.87 SIGMAR1 (0.32) SIGMAR1
SCHEMBL20314548 0.84 ACHE (0.36) SIGMAR1CHRM5
SCHEMBL19953951 0.84 SIGMAR1 (0.33) SIGMAR1SMN1; SMN2POLB
SCHEMBL8036108 0.78 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2POLBCXCR4MEN1
SCHEMBL12932707 0.78 HTT (0.34) SMN1; SMN2CYP1A2CHRM2SLC6A4LMNA
SCHEMBL14032178 0.76 HRH3 (0.35) SIGMAR1SMN1; SMN2CHRM2SLC6A4MEN1
SCHEMBL4951889 0.76 HRH3 (0.35) SIGMAR1SMN1; SMN2CHRM2SLC6A4MEN1
SCHEMBL15217036 0.75 CXCR4 (0.46) SIGMAR1SMN1; SMN2POLBCXCR4CHRM5
SCHEMBL23424596 0.74 ALDH1A1 (0.35) LMNAALDH1A1MAPT
SCHEMBL13801830 0.74 SMN1; SMN2 (0.39) SIGMAR1SMN1; SMN2CYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117771184-B Liposome composition for treating triple negative breast cancer and application thereof 贵州医科大学 2024-06-14 CN disclosed
CN-117771184-A Liposome composition for treating triple negative breast cancer and application thereof 贵州医科大学 2024-03-29 CN disclosed
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2019-01-29 US disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 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 (2 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 SIGMAR1 257/4885SMN1; SMN2 4708/4885POLB 4447/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 SIGMAR1 392/4885SMN1; SMN2 3458/4885POLB 4480/4885

“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.