SCHEMBL19512840

SCHEMBL19512840

CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(C#N)c(F)c3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.50
▸ NR1H2 P55055 1/20 0.47
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ KCNJ1 P48048 1/20 0.42
▸ GPR119 Q8TDV5 9/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NAMPT P43490 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
SCHEMBL19513096 0.87 ESR2 (0.55) ESR2NR1H2JAK2JAK1KCNJ1
SCHEMBL20945425 0.86 KCNJ1 (0.47) KCNJ1NPC1RAB9AS1PR1MEN1
SCHEMBL1948364 0.81 ESR2 (0.60) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL1948827 0.81 ESR2 (0.60) ESR2NR1H2JAK2NPC1RAB9A
SCHEMBL17797522 0.81 ESR2 (0.56) ESR2NR1H2JAK2NPC1RAB9A
SCHEMBL31413054 0.80 ESR2 (0.56) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL30474184 0.80 ESR2 (0.56) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL5599594 0.76 ESR2 (0.62) ESR2NR1H2GPR119RAB9AMEN1
SCHEMBL25074088 0.76 ESR2 (0.61) ESR2NR1H2JAK2GPR119NPC1
SCHEMBL29098008 0.76 NR1H2 (0.52) ESR2NR1H2JAK2GPR119NPC1

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 4 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 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
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 ESR2 808/4885NR1H2 32/4885JAK2 1467/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL ESR2 808/4885NR1H2 32/4885JAK2 1467/4885

“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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