SCHEMBL5011981

SCHEMBL5011981

Cc1ccccc1-n1nc(C2CCCCC2)cc1Nc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.48
KCNJ3 P48549 8/20 0.48
KCNJ5 P48544 6/20 0.48
ADORA1 P30542 7/20 0.46
GFER P55789 1/20 0.45
CRACR2A Q9BSW2 1/20 0.44
MAPT P10636 1/20 0.44
ADORA2B P29275 1/20 0.43
MEN1 O00255 1/20 0.42
AKR1B10 O60218 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
DHFR P00374 1/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL5005238 0.99 KCNJ6 (0.49) KCNJ6KCNJ3KCNJ5ADORA1GFER
SCHEMBL5012103 0.89 ALDH1A1 (0.46) KCNJ6KCNJ3KCNJ5GFERCRACR2A
SCHEMBL3975958 0.86 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5ADORA1CRACR2A
SCHEMBL3860022 0.85 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5ADORA1CRACR2A
SCHEMBL27637083 0.85 KCNJ6 (0.42) KCNJ6KCNJ3KCNJ5GFERMAPT
SCHEMBL3975494 0.84 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AMAPT
SCHEMBL27637170 0.84 KCNJ6 (0.43) KCNJ6KCNJ3KCNJ5GFERMAPT
SCHEMBL3979959 0.83 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AMAPT
SCHEMBL5008517 0.82 KCNJ6 (0.50) KCNJ6KCNJ3KCNJ5ADORA1GFER
SCHEMBL3974589 0.82 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5CRACR2ALMNA

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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 KCNJ6 1526/4885KCNJ3 636/4885KCNJ5 785/4885

“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.