SCHEMBL30245666

SCHEMBL30245666

COc1cccc(CN(Cc2cccc(N3CCN(C)CC3)c2)c2ccnc(COCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ ABCB1 P08183 10/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL29194448 1.00 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL25297857 0.98 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL30245402 0.98 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL25298164 0.98 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL29194670 0.97 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL30245030 0.97 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL25292335 0.95 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1ABCB1
SCHEMBL25290109 0.95 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL30245104 0.95 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2
SCHEMBL30245464 0.95 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2NPSR1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 — — US claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 — — US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — 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 (1 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-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV ALDH1A1 1217/4885TSHR 368/4885SMN1; SMN2 2472/4885

“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.

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