SCHEMBL6607645

SCHEMBL6607645

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 1.00
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL6605478 0.91 CRHR1 (1.00) CRHR1ALDH1A1LMNAHTTMAPT
SCHEMBL6607982 0.90 CRHR1 (1.00) CRHR1LMNACRHR2
SCHEMBL6605011 0.89 CRHR1 (1.00) CRHR1ALDH1A1LMNAHTTMAPT
SCHEMBL6928652 0.88 CRHR1 (1.00) CRHR1ALDH1A1LMNAHTTMAPT
SCHEMBL6607221 0.80 CRHR1 (0.69) CRHR1ALDH1A1LMNAHTTMAPT
SCHEMBL6606583 0.72 CRHR1 (0.61) CRHR1ALDH1A1MAPTKDM4EDHODH
SCHEMBL6607652 0.68 CRHR1 (0.67) CRHR1
SCHEMBL6609889 0.68 CRHR1 (0.59) CRHR1ALDH1A1MAPTKDM4EDHODH
SCHEMBL6621349 0.68 CRHR1 (0.66) CRHR1
SCHEMBL3726304 0.65 ALDH1A1 (0.53) CRHR1ALDH1A1

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 2/4885ALDH1A1 1902/4885LMNA 4482/4885

“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.