SCHEMBL10219772

SCHEMBL10219772

c1ccc(-c2ccc(C(C3CCCC3)n3cnc4ccccc43)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.55
CYP11B2 P19099 8/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP17A1 P05093 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
PTK2B Q14289 1/20 0.36
LCK P06239 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
FFAR1 O14842 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX5 P09917 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL15761425 0.95 CYP11B1 (0.60) CYP11B1CYP11B2KMT2AMEN1HPGD
SCHEMBL10219787 0.82 KMT2A (0.68) CYP11B1CYP11B2KMT2AMEN1HPGD
SCHEMBL15761427 0.80 CYP11B1 (0.66) CYP11B1CYP11B2CYP17A1FFAR1
SCHEMBL15761426 0.76 CYP11B1 (0.91) CYP11B1CYP11B2KMT2AMEN1HPGD
SCHEMBL10219789 0.76 CYP11B1 (0.58) CYP11B1CYP11B2KMT2AMEN1HPGD
SCHEMBL10219812 0.75 CYP11B1 (0.73) CYP11B1CYP11B2CYP17A1FFAR1
SCHEMBL10219817 0.71 CYP11B1 (0.51) CYP11B1CYP11B2CYP17A1FFAR1
SCHEMBL10219788 0.71 CYP11B2 (0.54) CYP11B1CYP11B2CYP17A1FFAR1
SCHEMBL2715863 0.71 CYP11B1 (1.00) CYP11B1CYP11B2KMT2AMEN1HPGD
SCHEMBL10219784 0.70 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1

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
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 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-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES HSD11B1, CYP11B1, HSD11B2 CYP11B1 2/4885CYP11B2 4/4885KMT2A 2768/4885

“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.