SCHEMBL6793891

SCHEMBL6793891

CCC(CC)Nc1cc(C)nc(Oc2ccc(Br)cc2OC)c1C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.40
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6798584 0.90 MGAM (0.42) CRHR1MGAMGAASIMGAM2
SCHEMBL6797556 0.89 CRHR1 (0.40) CRHR1MGAMGAASIMGAM2
SCHEMBL6798731 0.88 SLC6A2 (0.45) CRHR1GAAHPGDALDH1A1POLB
SCHEMBL6796943 0.79 CRHR1 (0.42) CRHR1GAAHPGDALDH1A1CYP1A2
SCHEMBL6792864 0.79 CRHR1 (0.55) CRHR1
SCHEMBL6796886 0.78 GAA (0.41) CRHR1GAAMAPTHPGDALDH1A1
SCHEMBL6792226 0.78 RXFP1 (0.41) CRHR1GAARXFP1MAPTHPGD
SCHEMBL6793487 0.77 ALPL (0.38) CRHR1
SCHEMBL5844544 0.77 CRHR1 (0.67) CRHR1
SCHEMBL6798867 0.77 GAA (0.50) CRHR1GAAMAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885MGAM 2867/4885GAA 2029/4885

“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.