SCHEMBL15699345

SCHEMBL15699345

CC(=O)[C@@H]1C[C@H](C)CN1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
GAA P10253 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL12413176 1.00 ATM (0.35) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL16174139 1.00 ATM (0.35) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL6760034 1.00 ATM (0.35) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL10116502 1.00 ATM (0.35) ATMCHRM2CHRM4CHRM5CHRM1
SCHEMBL24354973 0.82 ATM (0.44) ATMGAA
SCHEMBL13164365 0.82 ATM (0.44) ATMGAA
SCHEMBL10330907 0.82 ATM (0.44) ATMGAA
SCHEMBL29108935 0.82 ATM (0.44) ATMGAA
SCHEMBL4072231 0.82 ATM (0.44) ATMGAA
SCHEMBL1101660 0.82 ATM (0.44) ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 US disclosed
US-9199933-B2 Process for preparation of (1S, 3S, 5S)-2-[(2S)-2-amino-2-(3-hydroxy-I-adamantyl) acetyl]-2-azabicyclo [3.1.0] hexane-3-carbonitrile Davuluri, Ramamohan Rao (IN) 2015-12-01 US disclosed
US-20150112084-A1 PROCESS FOR PREPARATION OF (IS, 3S, 5S)-2-[(2S)-2-AMIN0-2-(3-HYDROXY-l-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0] HEXANE-3-CARBONITRILE DAVULURI, RAMAMOHAN RAO (IN) 2015-04-23 US disclosed
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 US disclosed
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY 2014-05-15 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 (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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD ATM 1240/4885CHRM2 4885/4885CHRM4 4878/4885
US-20150112084-A1 PROCESS FOR PREPARATION OF (IS, 3S, 5S)-2-[(2S)-2-AMIN0-2-(3-HYDROXY-l-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0] HEXANE-3-CARBONITRILE DPP4, DPP3, DPP9 ATM 2758/4885CHRM2 1739/4885CHRM4 776/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 ATM 1063/4885CHRM2 4741/4885CHRM4 4797/4885
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 ATM 700/4885CHRM2 4873/4885CHRM4 4862/4885

“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.