SCHEMBL8092816

SCHEMBL8092816

Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
NAMPT P43490 1/20 0.38
GALR2 O43603 4/20 0.38
GALR1 P47211 2/20 0.38
HTR1A P08908 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
NAPEPLD Q6IQ20 2/20 0.37
BCHE P06276 1/20 0.37
STING1 Q86WV6 1/20 0.36
TP53 P04637 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL3246430 0.94 HRH3 (0.40) HRH3GALR2GALR1HTR1AHTR2A
SCHEMBL3240557 0.91 HRH3 (0.40) HRH3GALR2HTR1AHTR2AHTR2C
SCHEMBL3244161 0.90 CDK4 (0.41) HRH3HTR1AHTR2AHTR2CHTR2B
SCHEMBL3238453 0.89 CDK4 (0.43) HRH3GALR2HTR1AHTR2AHTR2C
SCHEMBL3243359 0.89 KMT2A (0.41) HRH3HTR1AHTR2AHTR2CHTR2B
SCHEMBL3237796 0.84 CDK4 (0.47) GALR2GALR1HTR1AHTR2AKMT2A
SCHEMBL3240139 0.80 CDK4 (0.40) HRH3HTR1AHTR2AHTR2CHTR2B
SCHEMBL3265760 0.80 NAPEPLD (0.46) HRH3HTR1AHTR2AHTR2CHTR2B
SCHEMBL3240530 0.78 PTGS2 (0.39) HRH3GALR2GALR1HTR1AKMT2A
SCHEMBL8165141 0.76 HTR1A (0.42) HTR1AHTR2AHTR2CHTR2BKMT2A

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 HRH3 416/4885NAMPT 1456/4885GALR2 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 HRH3 416/4885NAMPT 1456/4885GALR2 2/4885
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 HRH3 251/4885NAMPT 917/4885GALR2 2/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 HRH3 534/4885NAMPT 841/4885GALR2 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 HRH3 423/4885NAMPT 1574/4885GALR2 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.