SCHEMBL12450345

SCHEMBL12450345

C[C@@H]1CN(C2CCC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
MAP4K4 O95819 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.38
PREP P48147 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27059386 0.94 CHRM2 (0.44) SETD7MAP4K4HSD17B10CHRM2CHRM1
SCHEMBL25949561 0.94 CHRM2 (0.44) SETD7MAP4K4HSD17B10CHRM2CHRM1
SCHEMBL19986806 0.90 HSD17B10 (0.44) SETD7HSD17B10CHRM2CHRM1CHRM3
SCHEMBL3862845 0.85 HPGD (0.55) HSD17B10HPGDPREPEPHX1MEN1
SCHEMBL3862839 0.85 HPGD (0.55) HSD17B10HPGDPREPEPHX1MEN1
SCHEMBL17631439 0.84 USP2 (0.40) SETD7MAP4K4HSD17B10CHRM2CHRM1
SCHEMBL17631441 0.84 USP2 (0.40) SETD7MAP4K4HSD17B10CHRM2CHRM1
SCHEMBL30867754 0.84 SETD7 (0.39) SETD7MAP4K4HSD17B10CHRM2CHRM1
SCHEMBL25945745 0.84 MAP4K4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25945800 0.84 KDM2B (0.38) SETD7MAP4K4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-9012452-B2 Processes for making cyclopropyl amide derivatives and intermediates associated therewith ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012452-B2 Processes for making cyclopropyl amide derivatives and intermediates associated therewith ASTRAZENECA AB (SE) 2015-04-21 US disclosed
EP-2536685-B1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2015-04-08 EP disclosed
US-8993577-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-03-31 US disclosed
US-8993577-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-03-31 US disclosed
US-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2013-07-04 US disclosed
US-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2013-07-04 US disclosed
WO-2011102794-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2011-08-25 WO disclosed
US-20100216812-A1 Cyclopropyl Amide Derivatives ASTRAZENECA AB (SE) 2010-08-26 US disclosed
US-20100216812-A1 Cyclopropyl Amide Derivatives ASTRAZENECA AB (SE) 2010-08-26 US disclosed
WO-2010096011-A1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2010-08-26 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 (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-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH HRH4, HRH2, HRH3 PSEN1 3476/4885PSEN2 3800/4885APH1B 3093/4885
US-20100216812-A1 Cyclopropyl Amide Derivatives HRH4, HRH2, HRH3 PSEN1 2737/4885PSEN2 2137/4885APH1B 2236/4885
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 PSEN1 2737/4885PSEN2 2137/4885APH1B 2236/4885
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 PSEN1 2737/4885PSEN2 2137/4885APH1B 2236/4885

“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.