SCHEMBL4410025

SCHEMBL4410025

Cc1ccc(Nc2cc(N3CCCCC3)nc(NC(C)Cc3c[nH]c4ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.43
GALR2 O43603 9/20 0.42
KDR P35968 5/20 0.41
GALR1 P47211 1/20 0.40
SNCA P37840 1/20 0.40
NR3C2 P08235 3/20 0.40
PGR P06401 2/20 0.40
AURKA O14965 1/20 0.39
RIPK1 Q13546 1/20 0.39
AURKB Q96GD4 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
SCHEMBL3243542 0.84 HRH3 (0.49) GALR2
SCHEMBL3263617 0.83 NR3C1 (0.40) NR3C1GALR2KDRSNCA
SCHEMBL3246500 0.83 NR3C1 (0.44) NR3C1KDRSNCANR3C2PGR
SCHEMBL3244161 0.78 CDK4 (0.41) KDR
SCHEMBL3240139 0.77 CDK4 (0.40) KDR
SCHEMBL3244301 0.77 GALR2 (0.46) GALR2GALR1AURKARIPK1AURKB
SCHEMBL3240530 0.74 PTGS2 (0.39) GALR2KDRGALR1
SCHEMBL3244088 0.74 GALR2 (0.62) GALR2GALR1AURKARIPK1AURKB
SCHEMBL6788499 0.73 LMNA (0.41) NR3C1SNCA
SCHEMBL3247475 0.73 GALR2 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (5 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 NR3C1 389/4885GALR2 2/4885KDR 3331/4885
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 NR3C1 389/4885GALR2 2/4885KDR 3331/4885
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 NR3C1 314/4885GALR2 2/4885KDR 3778/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 NR3C1 1587/4885GALR2 2/4885KDR 4219/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 NR3C1 454/4885GALR2 2/4885KDR 3946/4885

“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.