Sugi Predict

Sugi Predict / Compounds / SCHEMBL6977310

SCHEMBL6977310

SCHEMBL6977310

CCOC(=O)N1C=Cc2ccccc2C1c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ BRD4 O60885 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 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
SCHEMBL6372301 0.79 ATM (0.46) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3062557 0.78 ATM (0.41) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11732900 0.77 SMN1; SMN2 (0.48) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3062426 0.76 ALDH1A1 (0.41) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3065113 0.75 ALDH1A1 (0.41) ATMALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL1472481 0.71 ALDH1A1 (0.35) ATMALDH1A1MAPTL3MBTL1HTT
SCHEMBL8521314 0.69 ATM (0.40) ATMALDH1A1MAPTHTTBRD4
SCHEMBL8211547 0.69 ATM (0.47) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9112803 0.68 ALDH1A1 (0.46) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL10861741 0.67 POLB (0.57) ALDH1A1MAPTSMN1; SMN2L3MBTL1BRD4

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 ATM 3249/4885ALDH1A1 3396/4885MAPT 2366/4885

“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.