SCHEMBL22008995

SCHEMBL22008995

O=C(O)[C@H](c1ccccc1)N1CCC(CN2CCC(c3ccc4c(n3)NCCC4)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
HRH1 P35367 3/20 0.46
CCR3 P51677 3/20 0.46
ITGAV P06756 17/20 0.46
ITGB3 P05106 14/20 0.46
ITGB5 P18084 12/20 0.46
ITGB1 P05556 6/20 0.46
ITGB6 P18564 9/20 0.45
ITGB8 P26012 5/20 0.45
ITGA2B P08514 1/20 0.42

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
SCHEMBL22008993 1.00 KCNH2 (0.46) KCNH2HRH1CCR3ITGAVITGB3
SCHEMBL20481396 1.00 KCNH2 (0.46) KCNH2HRH1CCR3ITGAVITGB3
SCHEMBL23788752 0.85 ITGAV (0.42) KCNH2HRH1CCR3ITGAVITGB3
SCHEMBL21832084 0.85 ITGAV (0.45) KCNH2ITGAVITGB3ITGB5ITGB1
SCHEMBL22008994 0.85 ITGAV (0.44) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL22008996 0.85 ITGAV (0.44) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL20481005 0.83 ITGAV (0.44) KCNH2ITGAVITGB3ITGB5ITGB1
SCHEMBL20481216 0.82 ITGAV (0.53) KCNH2ITGAVITGB3ITGB5ITGB1
SCHEMBL20481022 0.82 ITGAV (0.45) ITGAVITGB3ITGB5ITGB1ITGB6
SCHEMBL22008992 0.82 ITGAV (0.53) KCNH2ITGAVITGB3ITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2021-09-09 US disclosed
US-11046669-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-29 US disclosed
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-22 US disclosed
US-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-05-21 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 (5 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-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV KCNH2 1934/4885HRH1 3096/4885CCR3 1530/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV KCNH2 1951/4885HRH1 3113/4885CCR3 1805/4885
US-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV KCNH2 1934/4885HRH1 3096/4885CCR3 1530/4885
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin ITGB6, ITGA6, ITGAV KCNH2 1934/4885HRH1 3096/4885CCR3 1530/4885
US-11046669-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV KCNH2 1951/4885HRH1 3113/4885CCR3 1805/4885

“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.