SCHEMBL7681204

SCHEMBL7681204

O=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)NCCC4)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.43
ITGA2B P08514 6/20 0.43
ITGAV P06756 18/20 0.42
ITGB6 P18564 4/20 0.42
ITGB5 P18084 14/20 0.42
ITGB1 P05556 4/20 0.42
ITGB8 P26012 3/20 0.41
ITGA5 P08648 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7101412 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL21953862 0.90 ITGAV (0.41) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL7682486 0.88 ITGAV (0.43) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL20481255 0.86 ITGAV (0.42) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL20481005 0.86 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL7098375 0.85 ITGAV (0.50) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL20487848 0.84 ITGAV (0.40) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL31241592 0.84 ITGAV (0.40) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL2383101 0.82 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5
SCHEMBL22008996 0.81 ITGAV (0.44) ITGB3ITGA2BITGAVITGB6ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358970-B1 FOR THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-03-19 US claimed
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-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 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-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-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-05-21 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
US-6358970-B1 FOR THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-03-19 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 (14 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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 ITGB3 12/4885ITGA2B 6/4885ITGAV 4/4885
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGB3 12/4885ITGA2B 10/4885ITGAV 3/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGA2B 10/4885ITGAV 3/4885
US-11046669-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ITGB3 12/4885ITGA2B 10/4885ITGAV 3/4885

“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.