SCHEMBL30245668

SCHEMBL30245668

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.47
▸ MAOB P27338 1/20 0.43
▸ CETP P11597 1/20 0.41
▸ CALM1 P0DP23 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ BCHE P06276 3/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30245174 0.94 QPCT (0.42) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30244877 0.90 QPCT (0.49) QPCTMAOBCETPSLC2A1TSHR
SCHEMBL25251003 0.89 QPCT (0.39) QPCTMAOBCETPABCB1MAPT
SCHEMBL30245194 0.89 QPCT (0.63) QPCTMMP13
SCHEMBL30245298 0.88 QPCT (0.47) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL25425218 0.88 QPCT (0.38) QPCTMAOBCETPMAPTSMN1; SMN2
SCHEMBL25428277 0.88 PTGER2 (0.40) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245147 0.88 QPCT (0.38) QPCTMAOBCETPMAPTSMN1; SMN2
SCHEMBL30245561 0.87 MAPT (0.40) QPCTCETPABCB1MAPT
SCHEMBL30245069 0.85 MAOB (0.51) QPCTMAOBCETPCALM1CAMKK2

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 QPCT 4258/4885MAOB 2688/4885CETP 4377/4885

“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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