SCHEMBL5845754

SCHEMBL5845754

CCCCNc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1CC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.49
TLR8 Q9NR97 4/20 0.46
TLR7 Q9NYK1 4/20 0.46
CYP3A4 P08684 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5846865 0.86 CRHR1 (0.45) CRHR1RAPGEF4
SCHEMBL5843742 0.76 CRHR1 (0.57) CRHR1TDP1
SCHEMBL21015410 0.72 MAPT (0.56) CRHR1TLR8RAPGEF4ALDH1A1MAPT
SCHEMBL6429243 0.68 CRHR1 (0.50) CRHR1TLR8TLR7CYP3A4TDP1
SCHEMBL5843286 0.68 CRHR1 (0.57) CRHR1TDP1
SCHEMBL16378511 0.66 L3MBTL1 (0.49) RAPGEF4ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL23472140 0.65 TLR8 (0.44) CRHR1TLR8TLR7CYP3A4L3MBTL1
SCHEMBL5844119 0.65 CRHR1 (0.59) CRHR1RAPGEF4
Bromide SCHEMBL28822892 0.65 L3MBTL1 (0.47) RAPGEF4ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5843602 0.64 CRHR1 (0.40) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885TLR8 3786/4885TLR7 2797/4885

“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.