SCHEMBL3240226

SCHEMBL3240226

Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.66
CASP5 P51878 9/20 0.66
GALR2 O43603 6/20 0.58
GALR1 P47211 4/20 0.58
CASP4 P49662 8/20 0.53
APAF1 O14727 2/20 0.48
MAPT P10636 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.48
HTR2C P28335 1/20 0.47
GAA P10253 1/20 0.47
PPP1CA P62136 1/20 0.47
SENP8 Q96LD8 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3243105 0.89 CASP1 (0.54) CASP1CASP5GALR2GALR1CASP4
SCHEMBL27581405 0.89 CASP1 (0.65) CASP1CASP5GALR2GALR1CASP4
SCHEMBL3240927 0.86 GALR2 (0.77) GALR2GALR1APAF1MAPTSENP7
SCHEMBL3245932 0.86 GALR2 (0.61) GALR2GALR1APAF1MAPTSENP7
SCHEMBL3240588 0.83 GALR2 (0.59) GALR2GALR1APAF1MAPTSENP7
SCHEMBL6790642 0.82 LMNA (0.47) CASP1CASP5GALR2GALR1MAPT
SCHEMBL3241392 0.82 GALR2 (0.59) GALR2GALR1APAF1MAPTSENP7
SCHEMBL3245976 0.82 GALR2 (0.56) GALR2GALR1APAF1MAPTSENP7
SCHEMBL3241078 0.81 GALR2 (0.57) GALR2GALR1APAF1MAPTSENP7
SCHEMBL3240907 0.80 GALR2 (0.57) GALR2GALR1APAF1MAPTSENP7

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 30 patents — showing the first 20. 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-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-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-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-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-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
WO-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP 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
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
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO 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 CASP1 4531/4885CASP5 4051/4885GALR2 2/4885
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 CASP1 4531/4885CASP5 4051/4885GALR2 2/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 CASP1 4178/4885CASP5 3684/4885GALR2 2/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 CASP1 4514/4885CASP5 3964/4885GALR2 2/4885

“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.