SCHEMBL21484500

SCHEMBL21484500

CCCC1CCC(=O)N(CC)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
KAT6A Q92794 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.30
OPRK1 P41145 1/20 0.30
TLR4 O00206 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL3056086 0.86 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL3046934 0.86 BRD4 (0.35) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL12002358 0.81 BRD4 (0.43) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL24449451 0.80 KAT6A (0.31) KMT2AKAT6A
SCHEMBL21475939 0.79 BRD4 (0.46) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL17641731 0.78 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL23109026 0.76 OPRM1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23467555 0.76 OPRM1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22757281 0.75 MAPT (0.39) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL15228231 0.75 PER2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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 (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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CHRM2 1355/4885CHRM4 279/4885CHRM5 866/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 CHRM2 2733/4885CHRM4 904/4885CHRM5 1687/4885

“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.