SCHEMBL6974732

SCHEMBL6974732

CCCNc1cnc(-c2c(C)cc(C)cc2C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.50
IDO1 P14902 1/20 0.42
SLC2A1 P11166 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CNR2 P34972 2/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
UTS2R Q9UKP6 1/20 0.33

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
SCHEMBL6962812 0.86 NCF1 (0.48) CRHR1MAPTUTS2R
SCHEMBL6972554 0.73 CRHR1 (0.80) CRHR1
SCHEMBL15856898 0.72 CRHR1 (0.45) CRHR1
SCHEMBL6971750 0.72 CRHR1 (0.45) CRHR1MAPT
SCHEMBL6970878 0.72 CRHR1 (0.45) CRHR1MAPTHTT
SCHEMBL6968215 0.68 CRHR1 (0.67) CRHR1
SCHEMBL15214817 0.67 CYP1A2 (0.48) CRHR1IDO1SLC2A1MAPT
SCHEMBL6975785 0.67 MAPT (0.44) CRHR1MAPTHTT
SCHEMBL6968058 0.66 CRHR1 (0.65) CRHR1
SCHEMBL6969368 0.65 CRHR1 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946520-B1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORP (US) 2003-04-02 EP disclosed
US-6440969-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-08-27 US disclosed
US-6353103-B1 STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY. NEUROGEN CORPORATION 2002-03-05 US disclosed
US-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION. 2001-11-01 US disclosed
US-6235752-B1 CORTICOTROPIN RELEASING FACTOR; PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-05-22 US disclosed
US-6114530-A ISOQUIOLINAMINES AND PHTHALAZINAMINES USEFUL IN TREATING STRESS RELATED DISORDERES SUCH AS POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-09-05 US 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-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands CRHR1, CRH, CRHR2 CRHR1 1/4885IDO1 612/4885SLC2A1 3131/4885

“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.