SCHEMBL22255154

SCHEMBL22255154

CC(C)C(=O)NCCC1CC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NQO2 P16083 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX1 P07099 1/20 0.32
MEN1 O00255 2/20 0.32
DRD2 P14416 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
SCHEMBL12017880 0.88 SIGMAR1 (0.40) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL11090 0.82 SIGMAR1 (0.49) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL20665988 0.81 DPP4 (0.36) MTNR1AMTNR1BKMT2ACYP2C19CYP2D6
SCHEMBL24276406 0.79 SIGMAR1 (0.57) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL9891794 0.78 SIGMAR1 (0.60) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL23866596 0.76 SIGMAR1 (0.38) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL24333751 0.76 SIGMAR1 (0.38) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL12413657 0.75 SIGMAR1 (0.57) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL9891910 0.75 SIGMAR1 (0.43) SIGMAR1BCHEMTNR1AMTNR1BNQO2
SCHEMBL12017883 0.73 TDP1 (0.38) MTNR1AMTNR1BKMT2ADPP4PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SIGMAR1 1575/4885BCHE 4381/4885MTNR1A 186/4885

“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.