SCHEMBL3246476

SCHEMBL3246476

COc1cc2c(cc1OC)CN(c1nc(Nc3ccc(C)cc3)cc(N3CCCCC3)n1)CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 15/20 0.52
GALR1 P47211 7/20 0.52
KMT2A Q03164 2/20 0.48
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PPP1CA P62136 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3235778 0.86 GALR2 (0.53) GALR2GALR1APAF1GAAMAPT
SCHEMBL3245932 0.82 GALR2 (0.61) GALR2GALR1APAF1GAAMAPT
SCHEMBL3240515 0.78 GALR2 (0.64) GALR2GALR1APAF1GAAMAPT
SCHEMBL3247382 0.78 GALR2 (0.51) GALR2GALR1APAF1GAAMAPT
SCHEMBL10144339 0.76 GALR2 (0.82) GALR2GALR1APAF1GAAMAPT
SCHEMBL3246321 0.76 CASP1 (0.59) GALR2GALR1APAF1GAAMAPT
SCHEMBL3235801 0.75 GALR2 (0.49) GALR2GALR1APAF1GAAMAPT
SCHEMBL3240588 0.75 GALR2 (0.59) GALR2GALR1APAF1GAAMAPT
SCHEMBL18153416 0.74 CASP1 (0.61) GALR2GALR1APAF1GAAMAPT
SCHEMBL3240927 0.74 GALR2 (0.77) GALR2GALR1APAF1GAAMAPT

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
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-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-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 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-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 (5 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 GALR2 2/4885GALR1 3/4885KMT2A 4393/4885
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 GALR2 2/4885GALR1 3/4885KMT2A 4393/4885
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 GALR2 2/4885GALR1 3/4885KMT2A 3428/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885KMT2A 4209/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885KMT2A 4146/4885

“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.