SCHEMBL18866748

SCHEMBL18866748

O=C(O)[C@H]1CCCCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccc(C4CCC4)cc3F)n2)ncc1F

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.81
▸ GUCY1A2 P33402 20/20 0.81
▸ GUCY1A1 Q02108 20/20 0.81
▸ GUCY1B1 Q02153 20/20 0.81
▸ CYP2C9 P11712 1/20 0.64

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
SCHEMBL18866776 1.00 GUCY1B2 (0.81) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20662354 0.99 GUCY1B2 (0.82) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20662328 0.91 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20662331 0.91 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL21118522 0.91 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL21118011 0.91 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081840 0.89 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082567 0.89 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081826 0.89 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082374 0.89 GUCY1B2 (0.98) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183021-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-22 — — US disclosed
US-20170137439-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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 (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-20170137439-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885
US-10183021-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 GUCY1B2 10/4885GUCY1A2 5/4885GUCY1A1 3/4885

“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.

Send feedback