SCHEMBL3452863

SCHEMBL3452863

CCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 1/20 0.47
DUSP3 P51452 3/20 0.46
PTPN5 P54829 3/20 0.46
PTPN11 Q06124 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
LSS P48449 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL12543946 0.88 ALDH1A1 (0.52) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL29950978 0.87 HPGD (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL1950937 0.83 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AHSD17B10DUSP3
SCHEMBL10195012 0.82 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL4228629 0.82 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ADUSP3
SCHEMBL532147 0.82 POLB (0.65) HPGDKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2965532 0.81 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL3226386 0.81 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL521273 0.81 CA12 (0.58) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL2017162 0.81 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP disclosed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US disclosed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 84/4885HPGD 78/4885SMN1; SMN2 4131/4885

“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.