SCHEMBL3453510

SCHEMBL3453510

NC1CCc2nc[nH]c2C1.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.48
HTR3A P46098 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ADRA1D P25100 1/20 0.40
ROCK2 O75116 2/20 0.33
PLAU P00749 1/20 0.33
HTR1B P28222 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR2E1 Q9Y466 1/20 0.33

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
SCHEMBL3452991 0.79 ADRA1A (0.48) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL2224242 0.78 ADRA1A (0.54) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3452953 0.76 ADRA1A (0.53) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6850907 0.76 HTR3A (0.60) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6850905 0.69 HTR3A (0.48) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6852896 0.67 HTR3A (0.53) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6851022 0.67 ADRA1A (0.53) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydroxyamine SCHEMBL11026948 0.67 CES1 (0.54) KDM4ESMN1; SMN2
SCHEMBL7684 0.67 CES1 (0.58) KDM4ESMN1; SMN2
SCHEMBL637241 0.67 CES1 (0.58) KDM4ESMN1; SMN2

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 5 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
EP-2029576-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO 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 ADRA1A 467/4885HTR3A 558/4885ADRA2A 1399/4885

“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.