SCHEMBL1120892

SCHEMBL1120892

COc1ccc2c(C)c(-c3cccnc3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.66
CYP11B1 P15538 5/20 0.66
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CYP17A1 P05093 4/20 0.51
CYP19A1 P11511 1/20 0.51
MAPK13 O15264 5/20 0.50
MAPK12 P53778 5/20 0.50
MAPK11 Q15759 5/20 0.50
MAPK14 Q16539 5/20 0.50
DYRK1A Q13627 2/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
CYP3A4 P08684 2/20 0.47

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
SCHEMBL7897979 0.90 CYP11B2 (0.66) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL5196023 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MTNR1A
SCHEMBL1120931 0.83 KDM4E (0.62) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL1120862 0.81 CYP11B1 (0.69) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL7939316 0.81 CYP11B1 (0.69) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL1605619 0.81 CYP11B1 (0.69) CYP11B2CYP11B1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1605508 0.80 CYP11B1 (0.68) CYP11B2CYP11B1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1606498 0.80 CYP11B1 (0.68) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL2792363 0.80 CYP11B2 (1.00) CYP11B2CYP11B1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1604935 0.79 CYP11B2 (0.97) CYP11B2CYP11B1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 CYP11B2 22/4885CYP11B1 9/4885KDM4E 4236/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R CYP11B2 251/4885CYP11B1 325/4885KDM4E 3516/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 CYP11B2 282/4885CYP11B1 342/4885KDM4E 4115/4885

“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.