SCHEMBL5845875

SCHEMBL5845875

CCCCNCCc1nc(C)nc2c1nc(C)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.48
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.36
FPR3 P25089 2/20 0.36
TSPO P30536 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36

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
SCHEMBL7916250 0.77 CRHR1 (0.55) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL6429921 0.76 CRHR1 (0.47) CRHR1TDP1CYP3A4FPR3TSPO
SCHEMBL7965101 0.76 CRHR1 (0.56) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5845873 0.71 CRHR1 (0.69) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5788653 0.71 CRHR1 (0.38) CRHR1
SCHEMBL5845879 0.70 CRHR1 (0.42) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5844241 0.70 CRHR1 (0.39) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL11016252 0.69 CRHR1 (0.41) CRHR1TDP1
SCHEMBL5843320 0.68 CRHR1 (0.44) CRHR1
SCHEMBL7628530 0.65 CRHR1 (0.43) 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 7 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-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
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 3/4885TDP1 4199/4885CYP3A4 4070/4885

“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.