SCHEMBL3247475

SCHEMBL3247475

COc1ccc2[nH]cc(CCNc3nc(Nc4ccc(C)cc4)cc(N4CCCCC4)n3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 11/20 0.52
HTR2A P28223 4/20 0.49
GALR1 P47211 1/20 0.48
USP2 O75604 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
ALOX15 P16050 3/20 0.46
CYP2C19 P33261 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
PAK4 O96013 1/20 0.45
GLA P06280 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
SCHEMBL3244301 0.92 GALR2 (0.46) GALR2HTR2AGALR1MEN1ALDH1A1
SCHEMBL3243542 0.88 HRH3 (0.49) GALR2HTR2AMEN1KMT2APAK4
SCHEMBL12696430 0.83 AURKA (0.47) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL17751105 0.83 PAK4 (0.46) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL10143556 0.78 GALR2 (0.80) GALR2GALR1
SCHEMBL15473988 0.76 USP2 (0.44) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL30198174 0.76 USP2 (0.44) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL12613322 0.76 HTR1A (0.50) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL17751110 0.76 CYP1A2 (0.50) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL23221586 0.75 GALR2 (0.57) GALR2GALR1

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 7 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-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-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 (4 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-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 2/4885HTR2A 88/4885GALR1 3/4885
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 2/4885HTR2A 18/4885GALR1 3/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR2 2/4885HTR2A 286/4885GALR1 3/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 GALR2 2/4885HTR2A 82/4885GALR1 3/4885

“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.