SCHEMBL21780571

SCHEMBL21780571

c1cc2c(nc1CCCO[C@@H]1CCNC1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.54
ITGB6 P18564 16/20 0.54
ITGB3 P05106 5/20 0.46
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGA2B P08514 1/20 0.43

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 SCHEMBL21767525 0.99 ITGAV (0.53) ITGAVITGB6ITGB3ITGB1ITGB5
Hydrochloric Acid SCHEMBL21767528 0.99 ITGAV (0.53) ITGAVITGB6ITGB3ITGB1ITGB5
SCHEMBL20481044 0.97 ITGAV (0.53) ITGAVITGB6ITGB3
SCHEMBL30336026 0.97 ITGAV (0.53) ITGAVITGB6ITGB3
SCHEMBL20481042 0.97 ITGAV (0.53) ITGAVITGB6ITGB3
SCHEMBL24272305 0.95 ITGAV (0.52) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL21767775 0.95 ITGAV (0.52) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL31072025 0.95 ITGAV (0.52) ITGAVITGB6ITGB3
Hydrochloric Acid SCHEMBL21767773 0.95 ITGAV (0.52) ITGAVITGB6ITGB3
SCHEMBL31062983 0.95 ITGAV (0.52) ITGAVITGB6ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP 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 (6 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-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGAV 3/4885ITGB6 1/4885ITGB3 11/4885

“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.