SCHEMBL8097377

SCHEMBL8097377

Cc1cc(Nc2cc(N(C)C)nc(N(C)CCc3c[nH]c4ccccc34)n2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
GOT1 P17174 1/20 0.38
HTR6 P50406 3/20 0.38
SLC6A4 P31645 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
ADRA1D P25100 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
SCHEMBL8165141 0.93 HTR1A (0.42) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL6789795 0.93 GOT1 (0.46) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL3240671 0.88 CDK4 (0.46) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL3240557 0.78 HRH3 (0.40) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL8092816 0.73 HRH3 (0.39) HTR1AHTR2AHTR2CHTR2BMEN1
SCHEMBL3244161 0.72 CDK4 (0.41) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL3246152 0.72 HTR1A (0.50) HTR1AHTR2AHTR6MEN1KMT2A
SCHEMBL3243359 0.72 KMT2A (0.41) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL3246430 0.71 HRH3 (0.40) HTR1AHTR2AHTR2CHTR2BCDK4
SCHEMBL6784490 0.69 TAAR1 (0.59) MEN1KMT2AMAPTNPC1RAB9A

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 6 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

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 HTR1A 45/4885HTR2A 88/4885HTR2C 58/4885
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 HTR1A 13/4885HTR2A 18/4885HTR2C 11/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 HTR1A 222/4885HTR2A 286/4885HTR2C 249/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 HTR1A 45/4885HTR2A 82/4885HTR2C 51/4885

“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.