SCHEMBL23250511

SCHEMBL23250511

CC(C)CC(C(=O)O)n1cc(CCCN(C)C)c(C(F)(F)F)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.34
TACR1 P25103 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ACKR3 P25106 1/20 0.30
MLYCD O95822 1/20 0.30
CCR2 P41597 2/20 0.30

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
SCHEMBL21459657 0.93 POLQ (0.33) POLQTACR1PSEN1PSEN2APH1B
SCHEMBL23255967 0.91
SCHEMBL29610810 0.90 F11 (0.31) POLQCCR2
SCHEMBL31629607 0.89 F11 (0.31) ACKR3
SCHEMBL23257239 0.89 F11 (0.33) ACKR3CCR2
SCHEMBL23256691 0.89 ACKR3 (0.32) ACKR3
SCHEMBL23250487 0.89 THRA (0.31) ACKR3
SCHEMBL23250390 0.87 POLQ (0.34) POLQTACR1CCR2
SCHEMBL24307588 0.86 GCG (0.34) CCR2
SCHEMBL29611527 0.86 GCG (0.34) CCR2

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
WO-2025124544-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药研究院(深圳)有限公司 2025-06-19 WO disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
CN-116783161-A Inhibition of human integrin A4B7 莫菲克医疗股份有限公司 2023-09-19 CN disclosed
EP-4228634-A1 INHIBITING HUMAN INTEGRIN A4B7 Morphic Therapeutic, Inc. (US) 2023-08-23 EP disclosed
CN-115087444-A Inhibition of human integrin alpha 4 β 7 莫菲克医疗股份有限公司 2022-09-20 CN disclosed
EP-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed
US-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
US-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
WO-2022081983-A1 INHIBITING HUMAN INTEGRIN A4B7 MORPHIC THERAPEUTIC, INC. (US) 2022-04-21 WO disclosed
WO-2022081983-A1 INHIBITING HUMAN INTEGRIN A4B7 MORPHIC THERAPEUTIC, INC. (US) 2022-04-21 WO disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 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 (2 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-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) ITGB7, ITGB4, ITGA4 POLQ 4266/4885TACR1 2883/4885PSEN1 2392/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 POLQ 4266/4885TACR1 2883/4885PSEN1 2392/4885

“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.