SCHEMBL5260849

SCHEMBL5260849

COc1ccc2c(-c3c[nH][c]n3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4721866 0.80 ALDH1A1 (0.36) CYP1A2CYP2C9RAB9AGSK3BKDM4E
SCHEMBL4719196 0.78 KDM4E (0.41) CYP1A2CYP2A6NPC1GSK3BPDGFRB
SCHEMBL12592235 0.76 GSK3B (0.43) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4
SCHEMBL5255266 0.76 CYP1A2 (0.40) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4
SCHEMBL6003235 0.76 CYP1A1 (0.50) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL1319008 0.74 SMN1; SMN2 (0.49) NPC1RAB9ADYRK1APDGFRBALDH1A1
SCHEMBL12592172 0.71 NPC1 (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1041432 0.70 CYP1A2 (0.55) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4
SCHEMBL6003169 0.70 MGAM (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1317405 0.70 NPC1 (0.46) NPC1RAB9ADYRK1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP disclosed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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 (2 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-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R CYP1A2 937/4885CYP2A6 943/4885CYP11B1 57/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 CYP1A2 673/4885CYP2A6 668/4885CYP11B1 67/4885

“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.