SCHEMBL3245944

SCHEMBL3245944

COCCN(CCOC)c1nc(Nc2ccc(C)cc2)cc(N2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.48
GALR2 O43603 16/20 0.48
GALR1 P47211 5/20 0.43
APAF1 O14727 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PPP1CA P62136 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3246418 0.86 GALR2 (0.44) GALR2GALR1KDM4E
SCHEMBL3240530 0.85 PTGS2 (0.39) SLC29A1GALR2GALR1GAAMAPT
SCHEMBL3240506 0.79 GALR2 (0.48) GALR2GALR1APAF1GAAMAPT
SCHEMBL3238443 0.76 NAPEPLD (0.54)
SCHEMBL3242653 0.76 GALR2 (0.45) GALR2GALR1MAPT
SCHEMBL3240567 0.76 GALR2 (0.47) GALR2GALR1GAAKDM4E
SCHEMBL3245932 0.75 GALR2 (0.61) GALR2GALR1APAF1GAAMAPT
SCHEMBL8337489 0.74 GALR2 (0.44) GALR2GALR1APAF1GAAMAPT
SCHEMBL10143556 0.73 GALR2 (0.80) GALR2GALR1
SCHEMBL3240139 0.73 CDK4 (0.40) GAAMAPTKDM4E

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SLC29A1 1843/4885GALR2 2/4885GALR1 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 SLC29A1 1581/4885GALR2 2/4885GALR1 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 SLC29A1 1797/4885GALR2 2/4885GALR1 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.