SCHEMBL17611607

SCHEMBL17611607

CC(C)(C)OC(=O)NCC(=O)OCCCCNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.60
▸ GUCY1A2 P33402 20/20 0.60
▸ GUCY1A1 Q02108 20/20 0.60
▸ GUCY1B1 Q02153 20/20 0.60
▸ CYP2C9 P11712 1/20 0.51
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL16907010 0.90 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17611649 0.89 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611620 0.86 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620437 0.85 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17620436 0.84 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17620488 0.83 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082645 0.83 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17620481 0.83 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20285326 0.82 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611692 0.82 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 — — EP disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 — — US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 — — US disclosed
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-01-31 — — US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
EP-3194382-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — 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 (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-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 23/4885GUCY1A2 15/4885GUCY1A1 16/4885
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885

“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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