SCHEMBL8084560

SCHEMBL8084560

Cc1ccc(Nc2cc(N(C)C)nc(Nc3ccccc3)n2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
SLC2A1 P11166 1/20 0.52
TGM2 P21980 1/20 0.45
IGF1R P08069 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.43
USP2 O75604 1/20 0.43
XBP1 P17861 1/20 0.43
NPY5R Q15761 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6784490 0.90 TAAR1 (0.59) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6790627 0.90 TAAR1 (0.58) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6791894 0.85 TAAR1 (0.73) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL4415371 0.82 APP (0.50) TAAR1NPC1RAB9ASLC2A1MAPT
SCHEMBL6789185 0.80 TAAR1 (0.62) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6790294 0.78 TAAR1 (0.59) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL6789489 0.78 TAAR1 (0.59) TAAR1NPC1RAB9ASLC2A1TGM2
SCHEMBL3247948 0.78 TAAR1 (0.56) TAAR1NPC1RAB9ASLC2A1MAPT
SCHEMBL2411151 0.78 TAAR1 (0.58) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL3244058 0.77 TAAR1 (0.69) TAAR1MEN1KMT2ANPC1RAB9A

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
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
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 TAAR1 242/4885MEN1 4213/4885KMT2A 4393/4885
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 TAAR1 242/4885MEN1 4213/4885KMT2A 4393/4885
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 75/4885MEN1 3067/4885KMT2A 3428/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 TAAR1 464/4885MEN1 4128/4885KMT2A 4209/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 TAAR1 275/4885MEN1 3898/4885KMT2A 4146/4885

“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.