SCHEMBL3241389

SCHEMBL3241389

COC(C)NCCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.61
HTR1A P08908 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.61
MC5R P33032 1/20 0.56
MC3R P41968 1/20 0.56
MC1R Q01726 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
G6PD P11413 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2732463 0.88 HTR2A (0.69) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL30536673 0.88 HTR2A (0.69) HTR2AHTR1AKDM4EALDH1A1HTT
Bromide SCHEMBL26186699 0.87 HTR2A (0.67) HTR2AHTR1AKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL26688729 0.87 HTR2A (0.67) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL21781048 0.82 KDM4E (0.65) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL11828168 0.81 HTR2A (0.64) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL15130901 0.80 KMT2A (0.74) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL25570805 0.80 KMT2A (0.74) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL13652758 0.80 KDM4E (0.61) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL20988136 0.79 HTR2A (0.66) HTR2AHTR1AKDM4EALDH1A1HTT

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 13 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-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP 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
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO 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 HTR2A 88/4885HTR1A 45/4885KDM4E 4396/4885
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 HTR2A 88/4885HTR1A 45/4885KDM4E 4396/4885
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 HTR2A 18/4885HTR1A 13/4885KDM4E 4371/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 HTR2A 85/4885HTR1A 45/4885KDM4E 3968/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 HTR2A 286/4885HTR1A 222/4885KDM4E 4395/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 HTR2A 82/4885HTR1A 45/4885KDM4E 4231/4885

“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.