SCHEMBL4239588

SCHEMBL4239588

Cc1nc2c3c(c(C(=O)N4CC(F)C4)cc2n1C)CCC1(Cc2ccccc2C1)N3

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.32
GRIN2B Q13224 1/20 0.31
HCRTR1 O43613 5/20 0.30
HCRTR2 O43614 5/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4239858 0.92 RORC (0.34) SPRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL4241487 0.89 KMT2A (0.35) SPRPDE4DMEN1KMT2A
SCHEMBL4235967 0.86 RORC (0.38) SPRMEN1KMT2A
SCHEMBL4242140 0.85 DHODH (0.35)
SCHEMBL4244845 0.85 PARP1 (0.36)
SCHEMBL4240859 0.83 CRBN (0.32)
SCHEMBL4243833 0.83 KDM4E (0.31)
Hydrochloric Acid SCHEMBL4242508 0.82 CRBN (0.32)
SCHEMBL4235330 0.82 HTR4 (0.34)
SCHEMBL4239785 0.81 ALDH1A1 (0.35) MEN1KMT2A

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-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 US claimed
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 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-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion GIPR, PGC, SLC10A2 SPR 2461/4885GRIN2B 2219/4885HCRTR1 1218/4885

“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.