SCHEMBL22009147

SCHEMBL22009147

c1cc2c(nc1C1CCN(CC3CCNCC3)CC1)NCCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.36
ITGB6 P18564 12/20 0.36
ITGB3 P05106 7/20 0.36
ITGB5 P18084 6/20 0.36
ITGB1 P05556 5/20 0.36
ITGB8 P26012 4/20 0.36
ITGA5 P08648 1/20 0.36
KCNH2 Q12809 2/20 0.36
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
Hydrochloric Acid SCHEMBL20481147 0.99 ITGAV (0.36) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21832084 0.85 ITGAV (0.45) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481005 0.85 ITGAV (0.44) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL275997 0.84 HRH4 (0.44) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20481273 0.82 HRH4 (0.43) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481128 0.82 ITGAV (0.44) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481003 0.80 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20481396 0.79 KCNH2 (0.46) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008995 0.79 KCNH2 (0.46) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL22008993 0.79 KCNH2 (0.46) ITGAVITGB6ITGB3ITGB5ITGB1

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
CN-110573499-B Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-04-21 CN 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 ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 12/4885
US-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-11046669-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 12/4885

“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.