SCHEMBL3271971

SCHEMBL3271971

C=CCc1c(Cl)nc(C)nc1N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
NR4A2 P43354 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FSCN1 Q16658 1/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
IDO1 P14902 2/20 0.32
MT-CO2 P00403 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5489084 0.91 IDO1 (0.34) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL5489054 0.89 LMNA (0.33) RXRANR4A2ALDH1A1MAPTNPSR1
SCHEMBL5494941 0.88 CNR1 (0.32) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL5494943 0.88 CNR1 (0.32) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL4943359 0.86 CNR1 (0.34) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL3281407 0.86 CNR1 (0.33) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL3273514 0.85 CNR1 (0.34) CNR1CNR2FSCN1HTTSMN1; SMN2
SCHEMBL4763543 0.83 CACNA1B (0.35) RXRANR4A2CNR2ALDH1A1MAPT
SCHEMBL5113094 0.82 CNR1 (0.31) CNR1CNR2
SCHEMBL5492643 0.82 CRHR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-01-25 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
EP-1395591-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 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-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR1, NR3C2, CRHR2 RXRA 640/4885NR4A2 23/4885CNR1 9/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 RXRA 2869/4885NR4A2 413/4885CNR1 54/4885

“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.