SCHEMBL21243675

SCHEMBL21243675

Cc1c([C@H](CNC(=O)O)NC(=O)O)ccc2c1COC2=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.52
KCNH2 Q12809 6/20 0.52
ACHE P22303 1/20 0.52
SSTR1 P30872 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
SCHEMBL21243575 0.93 KCNJ1 (0.51) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL21243579 0.93 KCNJ1 (0.51) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168387 0.91 KCNJ1 (0.52) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168389 0.91 KCNJ1 (0.52) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168438 0.90 KCNJ1 (0.52) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168440 0.90 KCNJ1 (0.52) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20574412 0.90 KCNJ1 (0.47) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20574414 0.90 KCNJ1 (0.47) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL21243449 0.89 KCNJ1 (0.53) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168208 0.87 KCNJ1 (0.49) KCNJ1KCNH2ACHESSTR1SLC6A4

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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 KCNJ1 85/4885KCNH2 53/4885ACHE 3965/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885KCNH2 53/4885ACHE 3965/4885

“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.