SCHEMBL6965022

SCHEMBL6965022

Cc1cc(C)c(-c2nnc(N(C)CC3CC3)c3ccccc23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.47
CSF1R P07333 7/20 0.37
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7077799 0.88 CRHR1 (0.48) CRHR1
SCHEMBL6963411 0.85 CRHR1 (0.51) CRHR1
SCHEMBL2015796 0.83 CRHR1 (0.57) CRHR1
SCHEMBL6968149 0.81 CRHR1 (0.52) CRHR1
SCHEMBL2016765 0.81 GABRA1 (0.46) CRHR1CSF1RALDH1A1MAPTHTT
SCHEMBL2019830 0.79 CSF1R (0.40) CRHR1CSF1RMEN1KMT2A
SCHEMBL2014518 0.78 GBA1 (0.38) CRHR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2020840 0.76 PYCR1 (0.35) CRHR1CSF1RMEN1ALDH1A1MAPT
SCHEMBL2017558 0.75 CSF1R (0.43) CRHR1CSF1RMEN1ALDH1A1HTT
SCHEMBL2025924 0.74 GBA1 (0.42) CRHR1CSF1RMEN1KMT2A

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 12 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 claimed
US-6440969-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-08-27 US claimed
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 claimed
US-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION. 2001-11-01 US claimed
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
EP-0946520-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1998027066-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1998-06-25 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-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands CRHR1, CRH, CRHR2 CRHR1 1/4885CSF1R 1041/4885MEN1 1678/4885

“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.