SCHEMBL20945400

SCHEMBL20945400

Cc1c(CN2Cc3cnc(Nc4ccc(C#N)c(F)c4)nc3CC2CO)ccc2c1COC2=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ KCNJ1 P48048 18/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL19512842 0.88 GRM5 (0.46) GRM5KCNJ1KCNH2
SCHEMBL20945399 0.85 KCNJ1 (0.57) GRM5KCNJ1KCNH2
SCHEMBL30569153 0.85 KCNJ1 (0.57) GRM5KCNJ1KCNH2
SCHEMBL30569167 0.81 KCNJ1 (0.65) GRM5KCNJ1KCNH2
SCHEMBL20945421 0.81 KCNJ1 (0.65) GRM5KCNJ1KCNH2
SCHEMBL19513099 0.78 KCNJ1 (0.58) GRM5KCNJ1KCNH2
SCHEMBL30569165 0.78 KCNJ1 (0.58) GRM5KCNJ1KCNH2
SCHEMBL19513100 0.77 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL30569178 0.77 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19475645 0.76 GRM5 (0.43) GRM5KCNJ1KCNH2

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 6 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
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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — 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 (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 GRM5 1609/4885KCNJ1 245/4885KCNH2 460/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL GRM5 1609/4885KCNJ1 245/4885KCNH2 460/4885

“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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