SCHEMBL6790622

SCHEMBL6790622

Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4cccc(OCc5ccccc5)c4)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 8/20 0.46
GALR1 P47211 5/20 0.46
MAPT P10636 5/20 0.42
USP2 O75604 3/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.39
F10 P00742 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL8092924 0.94 GALR2 (0.46) GALR2GALR1MAPTUSP2MAPK1
SCHEMBL8089157 0.90 GALR2 (0.46) GALR2GALR1MAPTUSP2MAPK1
SCHEMBL6790623 0.87 MAOB (0.42) GALR2GALR1MAPTUSP2MAPK1
SCHEMBL8254144 0.87 JAK2 (0.46) GALR2GALR1MAPTUSP2MAPK1
SCHEMBL8089247 0.86 GALR2 (0.55) GALR2GALR1MAPTMAPK1KMT2A
SCHEMBL6352398 0.84 GALR1 (0.45) GALR2GALR1MAPK1SMN1; SMN2LMNA
SCHEMBL8254491 0.84 F10 (0.44) GALR2GALR1MAPTUSP2MAPK1
SCHEMBL6356253 0.84 GALR2 (0.53) GALR2GALR1F10
SCHEMBL3242771 0.84 LMNA (0.49) GALR2GALR1MAPTSMN1; SMN2LMNA
SCHEMBL6353168 0.83 GALR2 (0.55) GALR2GALR1SMN1; SMN2LMNA

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 17 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-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 GALR2 2/4885GALR1 3/4885MAPT 3040/4885
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 3/4885MAPT 3040/4885
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 3/4885MAPT 1723/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885MAPT 3133/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885MAPT 3177/4885
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 3/4885MAPT 2990/4885

“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.