SCHEMBL6607982

SCHEMBL6607982

CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00
CRHR2 Q13324 1/20 0.54
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL6607645 0.90 CRHR1 (1.00) CRHR1CRHR2LMNA
SCHEMBL6605478 0.83 CRHR1 (1.00) CRHR1MEN1LMNAMAPK1KMT2A
SCHEMBL6605011 0.82 CRHR1 (1.00) CRHR1LMNATSHR
SCHEMBL6607652 0.80 CRHR1 (0.67) CRHR1
SCHEMBL6621349 0.80 CRHR1 (0.66) CRHR1
SCHEMBL6928652 0.79 CRHR1 (1.00) CRHR1LMNAMAPK1KMT2A
SCHEMBL6607221 0.73 CRHR1 (0.69) CRHR1MEN1LMNAKMT2ANPSR1
SCHEMBL772599 0.70 CRHR1 (0.68) CRHR1
SCHEMBL6606399 0.67 CRHR1 (1.00) CRHR1CRHR2
SCHEMBL6606583 0.66 CRHR1 (0.61) CRHR1MEN1KMT2A

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
EP-1320365-A4 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1320365-A1 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR Bristol-Myers Squibb Company (US) 2003-06-25 EP disclosed
US-6515005-B2 For treatment of depression, anxiety, feeding disorders, headache, drug addiction, inflammatory disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-04 US disclosed
US-20020161019-A1 Substituted azole derivatives as inhibitors of corticotropin releasing factor BRISTOL-MYERS SQUIBB COMPANY 2002-10-31 US disclosed
WO-2002024200-A1 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 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-20020161019-A1 Substituted azole derivatives as inhibitors of corticotropin releasing factor CRH, CRHR1, CRHR2 CRHR1 2/4885CRHR2 3/4885MEN1 1805/4885

“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.