SCHEMBL18982800

SCHEMBL18982800

C[C@]1(c2ccc(CC(=O)O)cc2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4ncccc34)nc(N)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 20/20 1.00
▸ GUCY1B1 Q02153 20/20 1.00

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
SCHEMBL18982784 1.00 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982149 1.00 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982803 0.93 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982589 0.93 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982320 0.93 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982252 0.92 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982362 0.92 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL18982965 0.92 GUCY1A1 (1.00) GUCY1A1GUCY1B1
SCHEMBL12065856 0.91 GUCY1A1 (0.83) GUCY1A1GUCY1B1
SCHEMBL18999262 0.91 GUCY1A1 (1.00) GUCY1A1GUCY1B1

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
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 — — CN disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 — — US disclosed
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2018-10-25 — — US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 — — US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 — — 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 (4 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-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885

“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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