SCHEMBL720855

SCHEMBL720855

Cc1c(C(NC2=CC=C(C(=O)O)N(C)C2)C2CCCCC2)oc2ccc(F)cc12.Cc1c(C(Nc2ccc(C(=O)NCCC(=O)O)nc2)C2CCCCC2)oc2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCG P01275 10/20 0.40
GCGR P47871 7/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 2/20 0.37

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
SCHEMBL716695 0.89 GCGR (0.48) GCGGCGRNPC1RAB9A
SCHEMBL719457 0.81 RAB9A (0.44) GCGGCGRNPC1RAB9APDE7A
SCHEMBL721199 0.80 NPC1 (0.48) GCGGCGRNPC1RAB9A
SCHEMBL718462 0.80 NPC1 (0.48) NPC1RAB9A
SCHEMBL721727 0.79 NPC1 (0.47) GCGGCGRNPC1RAB9A
SCHEMBL717961 0.79 NPC1 (0.42) GCGGCGRNPC1RAB9APDE7A
SCHEMBL718572 0.77 GCG (0.54) GCGGCGRNPC1RAB9A
SCHEMBL718578 0.75 NPC1 (0.47) NPC1RAB9APDE7A
SCHEMBL718020 0.74 NPC1 (0.38) GCGGCGRNPC1RAB9A
SCHEMBL719959 0.74 GCG (0.46) GCGGCGRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 (1 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GCGR 90/4885NPC1 902/4885

“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.