SCHEMBL8095920

SCHEMBL8095920

CN(C)c1cc(Nc2cc(F)c(F)c(F)c2)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GALR2 O43603 5/20 0.41
PHGDH O43175 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A1 P68400 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL3247212 0.91 GALR1 (0.47) GALR1KDM4ELMNAMAPTTP53
SCHEMBL3244443 0.88 PHGDH (0.47) GALR1KDM4ELMNAMAPTTP53
SCHEMBL3246542 0.87 L3MBTL1 (0.47) GALR1KDM4ELMNAMAPTTP53
SCHEMBL3792070 0.87 KDM4E (0.51) GALR1KDM4ELMNAMAPTTP53
SCHEMBL8097814 0.87 KDM4E (0.43) GALR1KDM4ELMNAMAPTTP53
SCHEMBL8101906 0.86 KDM4E (0.41) GALR1KDM4ELMNAMAPTTP53
SCHEMBL8254119 0.85 KDM4E (0.48) GALR1KDM4ELMNAMAPTTP53
SCHEMBL3238480 0.85 HTT (0.53) GALR1KDM4ELMNAMAPTTP53
SCHEMBL3240653 0.84 ALDH1A1 (0.48) GALR1KDM4ELMNAMAPTTP53
SCHEMBL6351840 0.84 LMNA (0.43) GALR1KDM4ELMNAMAPTTP53

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 15 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-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-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-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-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-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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO 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
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 GALR1 3/4885KDM4E 4396/4885LMNA 1768/4885
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 GALR1 3/4885KDM4E 4396/4885LMNA 1768/4885
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 GALR1 3/4885KDM4E 4371/4885LMNA 2398/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR1 3/4885KDM4E 4395/4885LMNA 2883/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 GALR1 3/4885KDM4E 4231/4885LMNA 1798/4885

“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.