SCHEMBL2874673

SCHEMBL2874673

COC(=O)c1cc2cc(OCc3ccccc3)c(Cl)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP2C9 P11712 1/20 0.40
PTGER1 P34995 1/20 0.40
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
TRPV3 Q8NET8 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
LMNA P02545 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
SCHEMBL2872216 0.83 SRD5A2 (0.43) SRD5A2TLR9TLR7HPGDLMNA
SCHEMBL2875024 0.78 NR1H2 (0.36) ALDH1A1CDK2KMT2APOLBATR
SCHEMBL5221628 0.78 POLB (0.35) HPGDALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL19885983 0.78 TLR9 (0.40) SRD5A1SRD5A2NOTUMTLR9TLR7
SCHEMBL5220154 0.76 KMT2A (0.39) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL2877718 0.75 SRD5A2 (0.49) SRD5A1SRD5A2CYP2C9TLR9TLR7
SCHEMBL2872248 0.73 SRD5A2 (0.43) SRD5A1SRD5A2HPGDLMNA
SCHEMBL2875003 0.72 HRH3 (0.36) KMT2APOLB
SCHEMBL3268910 0.71 HPGD (0.45) CYP2C9PTGER1TLR9TLR7TRPV3
SCHEMBL18267395 0.70 CYP2C9 (0.40) CYP2C9PTGER1TLR9TLR7TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7786109-B2 Tricyclic amide derivatives as modulators of H3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1960401-B1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7579351-B2 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090156583-A1 Tricyclic Amide Derivatives NETTEKOVEN MATTHIAS 2009-06-18 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
CN-101321761-A Tricyclic amide derivatives for the treatment of obesity HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
CN-101312969-A Azaindole-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2008-11-26 CN disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
EP-1960401-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
US-20070135416-A1 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. 2007-06-14 US disclosed
WO-2007065820-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 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 (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-20090156583-A1 Tricyclic Amide Derivatives HRH4, HRH3, HCAR1 SRD5A1 1174/4885SRD5A2 1339/4885NOTUM 2474/4885
US-20070135416-A1 Tricyclic amide derivatives HRH4, HRH3, HCAR1 SRD5A1 1174/4885SRD5A2 1339/4885NOTUM 2474/4885
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 SRD5A1 1649/4885SRD5A2 1359/4885NOTUM 3540/4885

“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.