SCHEMBL12431981

SCHEMBL12431981

CC(C)(C)C1CCc2c[nH]nc2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL12431974 0.86 MAPT (0.38) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL16373410 0.77 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21672677 0.73
SCHEMBL11203540 0.73 PLAU (0.42) MAPTHSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11203468 0.71 PLAU (0.41) MAPTHSD17B10KDM4EALDH1A1
SCHEMBL13109151 0.69 ADRA1A (0.40) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL21672516 0.69 MAPK1 (0.35) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL11203478 0.68 HTR1A (0.55)
SCHEMBL5021344 0.68 GRIN1 (0.42) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL21672471 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981918-B2 Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981918-B2 Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 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-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 MAPT 4301/4885MEN1 2040/4885MAPK1 822/4885

“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.