SCHEMBL5844246

SCHEMBL5844246

CCCCN(CC)c1nc(C)nc(Cl)c1CC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.43
FPR3 P25089 2/20 0.41
TSPO P30536 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5844393 0.84 CRHR1 (0.45) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL25021031 0.84 CRHR1 (0.45) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6295020 0.76 CRHR1 (0.42) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5843742 0.71 CRHR1 (0.57) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844067 0.71 PDK2 (0.37) TDP1
SCHEMBL12495762 0.69 PDK2 (0.42)
SCHEMBL9124554 0.69 MEN1 (0.38) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL821901 0.69 CRHR1 (0.67) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844220 0.67 KDM4E (0.50) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL857094 0.66 CYP1A2 (0.36)

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 3/4885FPR3 288/4885TSPO 1567/4885

“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.