SCHEMBL3095009

SCHEMBL3095009

CC(C)C(=O)N1CC=C(c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCNC4)CC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.39
HSD11B1 P28845 3/20 0.33
CCR1 P32246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL3972826 0.90 NAMPT (0.36) NAMPTHSD11B1
SCHEMBL3975472 0.80 HSD11B1 (0.45) NAMPTHSD11B1
SCHEMBL3977568 0.79 HSD11B1 (0.33) HSD11B1SMN1; SMN2
SCHEMBL3970810 0.78 AKT1 (0.32) HSD11B1ALDH1A1
SCHEMBL2977992 0.78 PDK2 (0.38) HSD11B1
SCHEMBL3978009 0.77 ELOVL1 (0.33) HSD11B1
SCHEMBL3972514 0.77 MGLL (0.33) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2973860 0.77 HSD11B1 (0.31) HSD11B1
SCHEMBL3970823 0.77 MAPT (0.36) NAMPTHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3970072 0.76 KDM4E (0.34) HSD11B1

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-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US claimed

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-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 NAMPT 1291/4885HSD11B1 1/4885CCR1 3003/4885

“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.