SCHEMBL3238449

SCHEMBL3238449

Cc1ccc(Nc2cc(N(C)C)nc(N(C)C3CCCCC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.41
LCK P06239 6/20 0.40
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
GBA1 P04062 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GALR2 O43603 2/20 0.36
GALR1 P47211 2/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL8092890 0.82 MAPT (0.35) JAK3LCKMEN1RAB9AKMT2A
SCHEMBL3247914 0.82 S1PR1 (0.39) JAK3LCKMEN1RAB9AKMT2A
SCHEMBL3242653 0.81 GALR2 (0.45) GBA1MAPTGALR2GALR1LMNA
SCHEMBL3241384 0.77 MAPT (0.40) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL2411151 0.74 TAAR1 (0.58) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL6788950 0.74 RAB9A (0.34) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL2412835 0.72 MAPT (0.47) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL29609269 0.72 NUDT1 (0.58) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL3243396 0.72 NUDT1 (0.58) MEN1RAB9AKMT2ANPC1GBA1
SCHEMBL8524757 0.71 MEN1 (0.44) MEN1RAB9AKMT2ANPC1GBA1

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 8 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-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

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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 JAK3 464/4885LCK 1320/4885MEN1 4213/4885
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 JAK3 1618/4885LCK 2064/4885MEN1 3067/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 JAK3 1310/4885LCK 612/4885MEN1 4128/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 JAK3 437/4885LCK 1340/4885MEN1 3898/4885

“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.