SCHEMBL19475764

SCHEMBL19475764

Cc1c(C(O)CN2CCc3cc(Nc4ccc(C#N)c(F)c4)ccc3C2)ccc2c1COC2=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.65
▸ KCNH2 Q12809 10/20 0.65
▸ ACHE P22303 1/20 0.54
▸ SSTR1 P30872 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54

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
SCHEMBL30569178 0.86 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19513100 0.86 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19475679 0.85 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL20945405 0.85 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL300381 0.80 KCNJ1 (0.78) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL26222182 0.80 KCNJ1 (0.45) KCNJ1KCNH2
SCHEMBL31098389 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL16853059 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19475769 0.77 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL18149064 0.77 KCNJ1 (0.66) KCNJ1KCNH2ACHESSTR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP claimed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US claimed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US claimed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — 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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL KCNJ1 245/4885KCNH2 460/4885ACHE 3321/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL KCNJ1 245/4885KCNH2 460/4885ACHE 3321/4885

“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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