SCHEMBL3246152

SCHEMBL3246152

Cc1ccc(Nc2cc(N(C)C)nc(NCCc3c[nH]c4ccccc34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
DRD2 P14416 4/20 0.50
HTR2A P28223 4/20 0.50
HTR7 P34969 4/20 0.50
HTR6 P50406 4/20 0.50
PTGS2 P35354 2/20 0.49
PAK4 O96013 5/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
POLB P06746 1/20 0.46
SLC2A1 P11166 1/20 0.46
RAD52 P43351 1/20 0.46
EIF2AK2 P19525 1/20 0.46
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL3240671 0.83 CDK4 (0.46) HTR1AHTR2AHTR6PTGS2KMT2A
SCHEMBL3243542 0.82 HRH3 (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3233135 0.80 MAPT (0.59) KMT2AMEN1MAPTPOLBSLC2A1
SCHEMBL3240537 0.79 AURKA (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3246140 0.78 MAPT (0.58) KMT2AMEN1MAPTPOLBSLC2A1
SCHEMBL7015692 0.77 HRH3 (0.67) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL12696468 0.76 PAK4 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL30198268 0.76 PAK4 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3244336 0.76 MAPT (0.57) KMT2AMEN1MAPTPOLBSLC2A1
SCHEMBL3388226 0.76 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6

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 10 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-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-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 (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 HTR1A 45/4885DRD2 508/4885HTR2A 88/4885
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 HTR1A 45/4885DRD2 508/4885HTR2A 88/4885
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 HTR1A 13/4885DRD2 191/4885HTR2A 18/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 HTR1A 45/4885DRD2 400/4885HTR2A 85/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 HTR1A 222/4885DRD2 1612/4885HTR2A 286/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 HTR1A 45/4885DRD2 435/4885HTR2A 82/4885

“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.