SCHEMBL3244058

SCHEMBL3244058

CN(C)c1cc(Cl)nc(Nc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.69
SLC2A1 P11166 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
NFKB1 P19838 1/20 0.51
LMNA P02545 1/20 0.49
TGM2 P21980 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KCNH3 Q9ULD8 3/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 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
SCHEMBL6791894 0.83 TAAR1 (0.73) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL3241000 0.82 MAPT (0.67) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL9795671 0.79 TAAR1 (0.62) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL6790627 0.79 TAAR1 (0.58) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL3708228 0.78 TAAR1 (0.61) TAAR1SLC2A1MAPTKMT2AMAPK1
SCHEMBL17800983 0.78 RHOA (0.45) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL8084560 0.77 TAAR1 (0.59) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL6784490 0.77 TAAR1 (0.59) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL6789185 0.76 TAAR1 (0.62) TAAR1SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL9017608 0.76 TAAR1 (0.62) TAAR1SLC2A1ALDH1A1MAPTKMT2A

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-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 (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 TAAR1 242/4885SLC2A1 1938/4885ALDH1A1 1921/4885
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 TAAR1 75/4885SLC2A1 1449/4885ALDH1A1 1194/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 TAAR1 270/4885SLC2A1 1700/4885ALDH1A1 2098/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 TAAR1 464/4885SLC2A1 1808/4885ALDH1A1 3303/4885

“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.