SCHEMBL7564259

SCHEMBL7564259

CCCN(CC1CC1)c1nc(Cl)nc2c(-c3c(C)cc(C)cc3C)cn(C)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.48
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL7570104 0.87 CRHR1 (0.47) CRHR1
SCHEMBL7570099 0.86 CRHR1 (0.46) CRHR1
SCHEMBL7562809 0.84 CRHR1 (0.47) CRHR1
SCHEMBL5786584 0.82 CRHR1 (0.64) CRHR1
SCHEMBL7565638 0.79 CRHR1 (0.64) CRHR1
SCHEMBL7569784 0.73 CRHR1 (0.48) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL7564260 0.72 CRHR1 (0.47) CRHR1
SCHEMBL5788651 0.71 CRHR1 (0.53) CRHR1
SCHEMBL5788008 0.70 CRHR1 (0.55) CRHR1
SCHEMBL7222251 0.69 CRHR1 (0.79) 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-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 US claimed
EP-0770080-B1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORP (US) 1999-07-14 EP claimed
US-5644057-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 1997-07-01 US claimed
WO-1996035689-A1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-11-14 WO claimed
US-6495688-B2 USED AS CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS, IN THERAPY AND DIAGNOSIS OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2002-12-17 US disclosed
US-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 US disclosed
US-6281220-B1 PYRROLO(3,2-D)PYRIMIDIN-4-AMINES AND PYRROLO(3,2-B)PYRIDIN-4-AMINES, AND THEIR USE AS ANTAGONISTS OF CORTICOTROPIN-RELEASING FACTOR NEUROGEN CORPORATION 2001-08-28 US disclosed
US-6020492-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 2000-02-01 US disclosed
EP-0770080-B1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORP (US) 1999-07-14 EP 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-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands CRHR1, CRH, CRHR2 CRHR1 1/4885MEN1 4228/4885NR1I2 105/4885

“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.