SCHEMBL782507

SCHEMBL782507

Cn1c(=O)oc2ccc(-c3cncc(C=O)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.48
▸ GPR55 Q9Y2T6 3/20 0.44
▸ KCNJ1 P48048 6/20 0.44
▸ SCD5 Q86SK9 1/20 0.38
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL801469 0.82 GPR55 (0.54) CYP11B2GPR55KCNJ1DDB1CRBN
SCHEMBL783358 0.80 CYP11B2 (0.49) CYP11B2GPR55KCNJ1TNIK
SCHEMBL782795 0.79 CYP11B2 (0.47) CYP11B2GPR55KCNJ1
SCHEMBL783487 0.79 KCNJ1 (0.51) CYP11B2GPR55KCNJ1PDE10ATNIK
SCHEMBL782587 0.78 CYP11B2 (0.52) CYP11B2GPR55KCNJ1SCD5
SCHEMBL782371 0.78 CYP11B2 (0.64) CYP11B2GPR55KCNJ1SCD5ALDH1A1
SCHEMBL782951 0.77 CYP19A1 (0.55) CYP11B2GPR55TNIK
SCHEMBL19512778 0.77 CYP2A6 (0.45) GPR55DDB1CRBNALDH1A1
SCHEMBL782500 0.77 KCNJ1 (0.50) CYP11B2GPR55KCNJ1PDE10ATNIK
SCHEMBL782992 0.76 GPR55 (0.44) CYP11B2GPR55KCNJ1SCD5DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 — — CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 — — EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 — — US disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 — — US disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 — — EP disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 — — US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 — — US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 — — WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 — — WO disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 — — EP disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 — — EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 CYP11B2 306/4885GPR55 1440/4885KCNJ1 85/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 CYP11B2 306/4885GPR55 1440/4885KCNJ1 85/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CYP11B2 1/4885GPR55 852/4885KCNJ1 630/4885

“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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