SCHEMBL4904346

SCHEMBL4904346

CC1(C(=O)O)CC1c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
EPHX2 P34913 1/20 0.37
PGR P06401 4/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TACR3 P29371 1/20 0.35

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
SCHEMBL15541000 0.79 KDM1A (0.53) KDM1A
SCHEMBL13556691 0.79 KDM1A (0.53) KDM1A
SCHEMBL14045495 0.79 KDM1A (0.53) KDM1A
SCHEMBL28065197 0.78 KDM1A (0.44) KDM1A
SCHEMBL17984248 0.78 KDM1A (0.44) KDM1A
SCHEMBL16455153 0.78 KDM1A (0.44) KDM1A
SCHEMBL8031930 0.78 KDM1A (0.44) ALDH1A1KDM1A
SCHEMBL7359641 0.76 KDM1A (0.41) CYP11B2ALDH1A1CA1CA2EPHX2
SCHEMBL29520353 0.73 CA2 (0.44) CA1CA2
SCHEMBL20524932 0.71 TP53 (0.52)

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-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 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-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 CYP11B2 21/4885ALDH1A1 51/4885CA1 2191/4885

“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.