SCHEMBL6764089

SCHEMBL6764089

COc1cccc(CN2CCN(c3nc(Nc4ccc(C)cc4)cc(N(C)C)n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.54
CASP4 P49662 1/20 0.54
CASP5 P51878 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
GALR2 O43603 4/20 0.50
GALR1 P47211 3/20 0.50
PHGDH O43175 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
EHMT2 Q96KQ7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6791198 0.92 CASP1 (0.57) CASP1CASP4CASP5KDM4EALDH1A1
SCHEMBL6788779 0.90 GALR2 (0.54) CASP1CASP4CASP5GALR2GALR1
SCHEMBL6790642 0.88 LMNA (0.47) CASP1CASP5KDM4EALDH1A1GAA
SCHEMBL6797121 0.87 GALR2 (0.54) CASP1CASP4CASP5KDM4EALDH1A1
SCHEMBL8089247 0.87 GALR2 (0.55) GALR2GALR1PHGDHDRD4MAPK1
SCHEMBL3247878 0.84 GALR2 (0.52) CASP1CASP4CASP5KDM4EALDH1A1
SCHEMBL6796738 0.83 MEN1 (0.48) KDM4EALDH1A1GALR2GALR1PHGDH
SCHEMBL3240312 0.81 GALR2 (0.50) CASP1CASP4CASP5KDM4EALDH1A1
SCHEMBL3241396 0.80 LMNA (0.43) ALDH1A1GAAGALR2PHGDHDRD2
SCHEMBL3262414 0.80 MAPT (0.50) CASP1CASP4CASP5KDM4EALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 US disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 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 (6 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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CASP1 4531/4885CASP4 4605/4885CASP5 4051/4885
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CASP1 4531/4885CASP4 4605/4885CASP5 4051/4885
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 CASP1 3932/4885CASP4 4433/4885CASP5 3929/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 CASP1 4419/4885CASP4 4432/4885CASP5 3882/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 CASP1 4178/4885CASP4 4100/4885CASP5 3684/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CASP1 4514/4885CASP4 4566/4885CASP5 3964/4885

“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.