SCHEMBL3244102

SCHEMBL3244102

CN(C)c1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP5 P51878 1/20 0.55
GAA P10253 1/20 0.49
DRD4 P21917 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
NCF1 P14598 1/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
MC4R P32245 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1124030 0.84 MAPT (0.45) GAAHTTLMNAALDH1A1NPSR1
SCHEMBL13596152 0.82 SIGMAR1 (0.54) CASP1CASP5GAASIGMAR1HTT
SCHEMBL1124029 0.81 CASP1 (0.61) CASP1CASP5GAAHTTLMNA
SCHEMBL8095257 0.81 ACHE (0.51) CASP1CASP5DRD4SIGMAR1HTT
SCHEMBL6791357 0.79 SIGMAR1 (0.45) CASP1CASP5GAASIGMAR1HTT
SCHEMBL6789057 0.79 LMNA (0.51) CASP1CASP5GAASIGMAR1LMNA
SCHEMBL6784851 0.79 CASP1 (0.46) CASP1CASP5GAAHTTLMNA
SCHEMBL6790642 0.79 LMNA (0.47) CASP1CASP5GAANCF1HTT
SCHEMBL3246107 0.79 CASP1 (0.44) CASP1CASP5GAADRD4SIGMAR1
SCHEMBL6795876 0.79 MAPT (0.51) CASP1CASP5GAALMNAALDH1A1

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 CASP1 4531/4885CASP5 4051/4885GAA 546/4885
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 4531/4885CASP5 4051/4885GAA 546/4885
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 3932/4885CASP5 3929/4885GAA 521/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 CASP1 4419/4885CASP5 3882/4885GAA 501/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 CASP1 4178/4885CASP5 3684/4885GAA 438/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CASP1 4514/4885CASP5 3964/4885GAA 474/4885

“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.