SCHEMBL3244098

SCHEMBL3244098

CCN(CCc1c[nH]c2ccccc12)c1nc(Cl)cc(N2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.46
HTR6 P50406 1/20 0.46
HTR2A P28223 3/20 0.43
KMT2A Q03164 2/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
BCHE P06276 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3240139 0.83 CDK4 (0.40) HTR1AHTR6HTR2AKMT2AHTR2C
SCHEMBL2982745 0.75 L3MBTL1 (0.40) KMT2AKDM4ELMNAMAPT
SCHEMBL3240557 0.74 HRH3 (0.40) HTR1AHTR2AKMT2AHTR2CHTR2B
SCHEMBL3240530 0.73 PTGS2 (0.39) HTR1AKMT2ACDK4CCND1HRH3
SCHEMBL3246500 0.72 NR3C1 (0.44) KDM4ELMNAHTTMAPK1
SCHEMBL3265760 0.71 NAPEPLD (0.46) HTR1AHTR6HTR2AKMT2AHTR2C
SCHEMBL3244161 0.71 CDK4 (0.41) HTR1AHTR2AKMT2AHTR2CHTR2B
SCHEMBL3243359 0.71 KMT2A (0.41) HTR1AHTR6HTR2AKMT2AHTR2C
SCHEMBL8092816 0.70 HRH3 (0.39) HTR1AHTR2AKMT2AHTR2CHTR2B
SCHEMBL3246430 0.70 HRH3 (0.40) HTR1AHTR2AKMT2AHTR2CHTR2B

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 11 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
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS 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

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 45/4885HTR6 43/4885HTR2A 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 45/4885HTR6 43/4885HTR2A 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 13/4885HTR6 28/4885HTR2A 18/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 HTR1A 45/4885HTR6 38/4885HTR2A 85/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 HTR1A 222/4885HTR6 271/4885HTR2A 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 45/4885HTR6 47/4885HTR2A 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.