SCHEMBL2663802

SCHEMBL2663802

CC1CN(C)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NR1H2 P55055 1/20 0.40
HSD11B1 P28845 1/20 0.40
PREP P48147 4/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
CTSK P43235 1/20 0.34
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL21515525 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL880528 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL26805930 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL21441814 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL25470765 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL24372084 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL12333780 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL2378746 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL30155479 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL20231511 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM3NR1H2HSD11B1

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-2518067-B1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H- INDAZOLE-3-CARBOXAMIDE AND THEIR THERAPEUTIC USES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2014-03-05 EP disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CHRM2 1585/4885CHRM1 1725/4885CHRM3 534/4885
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS NTRK3, NTRK1, NTRK2 CHRM2 332/4885CHRM1 249/4885CHRM3 86/4885

“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.