SCHEMBL3246394

SCHEMBL3246394

Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
CYBB P04839 1/20 0.49
NOX5 Q96PH1 1/20 0.49
NOX3 Q9HBY0 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GALR2 O43603 4/20 0.46
GALR1 P47211 2/20 0.46
MAPK1 P28482 3/20 0.45
IGF1R P08069 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
JAK2 O60674 1/20 0.43
EGFR P00533 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL8253256 0.94 LMNA (0.52) MAPTLMNACYBBNOX5NOX3
SCHEMBL3240269 0.94 LMNA (0.52) MAPTLMNACYBBNOX5NOX3
SCHEMBL3242771 0.90 LMNA (0.49) MAPTLMNACYBBNOX5NOX3
SCHEMBL8256922 0.87 LMNA (0.47) MAPTLMNAGALR2GALR1TP53
SCHEMBL18162511 0.86 LMNA (0.53) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8089247 0.86 GALR2 (0.55) MAPTLMNACYBBNOX3NOX4
SCHEMBL3244303 0.85 LMNA (0.49) MAPTLMNACYBBNOX5NOX3
SCHEMBL18153312 0.85 LMNA (0.49) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8253195 0.84 MAPT (0.48) MAPTLMNACYBBNOX5NOX3
SCHEMBL8256643 0.83 MAPT (0.48) MAPTLMNASMN1; SMN2CYP1A2CYP3A4

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 9 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
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 MAPT 3040/4885LMNA 1768/4885CYBB 3160/4885
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 MAPT 3040/4885LMNA 1768/4885CYBB 3160/4885
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 MAPT 1723/4885LMNA 2398/4885CYBB 3966/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MAPT 3177/4885LMNA 2883/4885CYBB 3132/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 MAPT 2990/4885LMNA 1798/4885CYBB 3299/4885

“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.