SCHEMBL19513096

SCHEMBL19513096

CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(C#N)c(F)c3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.55
▸ NR1H2 P55055 1/20 0.52
▸ JAK2 O60674 5/20 0.50
▸ JAK1 P23458 2/20 0.50
▸ KCNJ1 P48048 1/20 0.48
▸ GPR119 Q8TDV5 3/20 0.46
▸ JAK3 P52333 3/20 0.45
▸ PTK2 Q05397 3/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40

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
SCHEMBL19512840 0.87 ESR2 (0.50) ESR2NR1H2JAK2JAK1KCNJ1
SCHEMBL20945423 0.84 KCNJ1 (0.53) ESR2JAK2KCNJ1NPC1RAB9A
SCHEMBL30474184 0.84 ESR2 (0.56) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL31413054 0.84 ESR2 (0.56) ESR2NR1H2JAK2JAK1GPR119
SCHEMBL19475593 0.82 MAPT (0.67) JAK2JAK1GPR119MAPT
SCHEMBL5599594 0.81 ESR2 (0.62) ESR2NR1H2GPR119RAB9AMAPT
SCHEMBL1187142 0.80 ESR2 (0.60) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL1187942 0.79 ESR2 (0.58) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL30548176 0.78 ESR2 (0.69) ESR2NR1H2GPR119MAPTNAMPT
SCHEMBL451998 0.78 ESR2 (0.69) ESR2NR1H2GPR119MAPTNAMPT

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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