SCHEMBL20575130

SCHEMBL20575130

COc1cc(-n2cnc(C)c2)ncc1CN1CCNC(c2ccc3c(c2C)COC3=O)C1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.74
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL30329338 1.00 KCNJ1 (0.74) KCNJ1KCNH2
SCHEMBL20575127 1.00 KCNJ1 (0.74) KCNJ1KCNH2
SCHEMBL20574618 0.91 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL20574614 0.91 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL30329377 0.91 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL22584075 0.87 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL21851145 0.87 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL20574904 0.85 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL30444891 0.85 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL20575066 0.84 KCNJ1 (1.00) KCNJ1KCNH2

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-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 — — US claimed
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 — — EP claimed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 — — EP disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 — — US disclosed
US-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 — — US disclosed
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 — — EP disclosed
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-12-06 — — 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 (3 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-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885KCNH2 382/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885KCNH2 382/4885
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885KCNH2 382/4885

“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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