SCHEMBL3844539

SCHEMBL3844539

CC(C)(C)OC(=O)N1C[C@@H]1CCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ATM Q13315 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19964293 0.86 CA1 (0.46) NR1H2ATMUSP2SMN1; SMN2CTSK
SCHEMBL9918104 0.86 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL4840168 0.86 NR1H2 (0.46) NR1H2ATMUSP2SMN1; SMN2MEN1
SCHEMBL608492 0.86 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL610842 0.86 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL5790219 0.86 NR1H2 (0.46) NR1H2ATMUSP2SMN1; SMN2MEN1
SCHEMBL2435233 0.86 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL10145418 0.86 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL14117916 0.85 ATM (0.45) NR1H2CHRM2CHRM1CHRM3ATM
SCHEMBL7411944 0.84 ATM (0.46) NR1H2CHRM2CHRM1CHRM3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794129-B1 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA NV (BE) 2015-12-30 EP disclosed
EP-1794129-A4 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA NV (BE) 2009-09-02 EP disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1794129-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP disclosed
WO-2006039383-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO disclosed
US-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation DENG XIAOHU 2006-03-30 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 (1 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-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation SRM, SMOX, DDC NR1H2 2994/4885CHRM2 2093/4885CHRM1 1320/4885

“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.