SCHEMBL210732

SCHEMBL210732

O=C(c1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MET P08581 2/20 0.42
HSD11B1 P28845 1/20 0.41
PDE5A O76074 2/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE7B Q9NP56 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
Hydrochloric Acid SCHEMBL209222 0.99 HTT (0.47) HTTALDH1A1POLBMETHSD11B1
SCHEMBL15216482 0.92 HSD11B1 (0.40) HTTALDH1A1POLBMETHSD11B1
SCHEMBL12576591 0.92 HSD11B1 (0.40) HTTALDH1A1METHSD11B1PDE5A
SCHEMBL210028 0.92 HSD11B1 (0.40) HTTALDH1A1METHSD11B1PDE5A
SCHEMBL2722062 0.90 SMN1; SMN2 (0.43) ALDH1A1HSD11B1PDE5APDE4APDE1A
SCHEMBL211080 0.90 PDE5A (0.48) ALDH1A1POLBMETHSD11B1PDE5A
SCHEMBL208680 0.90 HSD11B1 (0.46) ALDH1A1HSD11B1PDE5APDE4APDE1A
SCHEMBL208807 0.90 HSD11B1 (0.46) ALDH1A1HSD11B1HRH3HPGDTSHR
SCHEMBL210606 0.90 HSD11B1 (0.46) ALDH1A1HSD11B1HRH3HPGDTSHR
Hydrochloric Acid SCHEMBL207291 0.89 PDE5A (0.47) ALDH1A1POLBMETHSD11B1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP claimed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US claimed
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP disclosed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US disclosed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US disclosed
WO-2007124337-A1 BIPHENYL AMIDE 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-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 HTT 3238/4885ALDH1A1 88/4885POLB 3372/4885

“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.