SCHEMBL21459969

SCHEMBL21459969

COC(=O)C[C@H](N)c1cncc(-c2c(C)cccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.46
KCNA5 P22460 8/20 0.39
FFAR1 O14842 4/20 0.38
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL21459425 1.00 CTSA (0.46) CTSAKCNA5FFAR1ROCK2ROCK1
SCHEMBL21459803 1.00 CTSA (0.46) CTSAKCNA5FFAR1ROCK2ROCK1
SCHEMBL29949515 1.00 CTSA (0.46) CTSAKCNA5FFAR1ROCK2ROCK1
SCHEMBL29949743 1.00 CTSA (0.46) CTSAKCNA5FFAR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL21459483 0.99 CTSA (0.45) CTSAKCNA5FFAR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL21459485 0.99 CTSA (0.45) CTSAKCNA5FFAR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL29949806 0.99 CTSA (0.45) CTSAKCNA5FFAR1ROCK2ROCK1
SCHEMBL31303262 0.94 CTSA (0.50) CTSAKCNA5
SCHEMBL21459713 0.94 CTSA (0.50) CTSAKCNA5
SCHEMBL21459711 0.94 CTSA (0.50) CTSAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 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-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
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
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 (7 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-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 CTSA 1771/4885KCNA5 1297/4885FFAR1 2927/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CTSA 1442/4885KCNA5 1144/4885FFAR1 2643/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CTSA 1442/4885KCNA5 1144/4885FFAR1 2643/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CTSA 1442/4885KCNA5 1144/4885FFAR1 2643/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 CTSA 1690/4885KCNA5 1042/4885FFAR1 2655/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CTSA 1442/4885KCNA5 1144/4885FFAR1 2643/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 CTSA 1771/4885KCNA5 1297/4885FFAR1 2927/4885

“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.