SCHEMBL21476009

SCHEMBL21476009

CC(C)n1cc(CCCN(C)C)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR6 P50406 1/20 0.37
PTGS2 P35354 1/20 0.36
MAPK14 Q16539 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TERT O14746 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NMT1 P30419 1/20 0.33

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
SCHEMBL21475878 0.90 HRH3 (0.44) BPTFHTR6PTGS2HRH3PTGDR2
SCHEMBL22757231 0.77 PTGS2 (0.38) SIGMAR1PTGS2PTGDR2ADORA2AADORA1
SCHEMBL21476001 0.76 KCNH2 (0.38) KAT2BKCNH2SIGMAR1HTR6
SCHEMBL21484161 0.76 PTGS2 (0.35) SIGMAR1PTGS2PTGDR2ADORA2AADORA1
SCHEMBL15807129 0.74 PTGS2 (0.42) LMNAPTGS2PTGDR2ADORA2AADORA1
SCHEMBL1106463 0.73 PTGS2 (0.41) BPTFPTGS2HRH3PTGDR2ADORA2A
SCHEMBL9670561 0.71 SIGMAR1 (0.64) KCNH2LMNASIGMAR1HRH3
SCHEMBL21475964 0.71 HRH3 (0.50) KCNH2SIGMAR1HRH3
SCHEMBL21459380 0.71 PTGS2 (0.42) HTR6PTGS2HRH3PTGDR2
SCHEMBL21476163 0.70 PTGS2 (0.40) PTGS2PTGDR2ADORA2AADORA1

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-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
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
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 BPTF 3475/4885KAT2B 2274/4885BRD9 1188/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 BPTF 3033/4885KAT2B 2121/4885BRD9 816/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 BPTF 3475/4885KAT2B 2274/4885BRD9 1188/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 BPTF 3027/4885KAT2B 1958/4885BRD9 1018/4885

“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.