SCHEMBL4762012

SCHEMBL4762012

CCC(COC)Oc1nc(C)nc2c1CCN2c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.52
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
HTR2A P28223 3/20 0.36
HTR7 P34969 3/20 0.36
HTR6 P50406 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SRD5A1 P18405 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
USP1 O94782 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4763636 0.93 CRHR1 (0.56) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL4770391 0.92 CRHR1 (0.53) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL4762031 0.81 CRHR1 (0.43) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL4767150 0.79 CRHR1 (0.43) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4762057 0.79 CRHR1 (0.42) CRHR1SRD5A1GPR119
SCHEMBL2190889 0.78 CRHR1 (0.54) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL4766861 0.77 GPR119 (0.38) CRHR1CYP1A2CYP2C19GPR119TRPV1
SCHEMBL4804115 0.74 CRHR1 (0.41) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL4762104 0.74 CRHR1 (0.43) CRHR1HTR1ADRD2HTR2AHTR7
SCHEMBL27624988 0.74 CRHR1 (0.52) CRHR1HTR1ADRD2HTR2AHTR7

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-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US claimed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP claimed
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
US-20050054661-A1 Corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2005-03-10 US 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-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885HTR1A 288/4885DRD2 164/4885

“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.