SCHEMBL2610253

SCHEMBL2610253

CC(=O)c1ccc2[nH]cc(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
HTR1D P28221 2/20 0.59
HTR1B P28222 2/20 0.59
KIF11 P52732 1/20 0.51
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.46
SLC2A1 P11166 1/20 0.44
PBRM1 Q86U86 1/20 0.43
HTR7 P34969 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL2610249 0.86 HTR7 (0.56) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL14572835 0.86 PDE4A (0.53) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL12120938 0.84 HTR1A (0.59) HTR1AHTR1DHTR1BHSD17B10MEN1
SCHEMBL27548934 0.82 PBRM1 (0.61) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL14120820 0.81 GPR84 (0.60) KIF11HSD17B10MEN1KMT2AALDH1A1
SCHEMBL2610316 0.81 HTR1A (0.61) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL18775424 0.81 HTR1A (0.57) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL29951862 0.81 F7 (0.60) HTR1AHTR1DHTR1BKIF11HSD17B10
SCHEMBL6755274 0.79 ALDH1A1 (0.67) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL14211119 0.78 ALDH1A1 (0.56) HTR1AHTR1DHTR1BKIF11HSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
US-8957093-B2 N-biphenylmethylindole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-17 US disclosed
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US disclosed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US disclosed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 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-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL HTR1A 852/4885HTR1D 289/4885HTR1B 413/4885
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD HTR1A 2199/4885HTR1D 3262/4885HTR1B 2885/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL HTR1A 852/4885HTR1D 289/4885HTR1B 413/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD HTR1A 2199/4885HTR1D 3262/4885HTR1B 2885/4885
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG HTR1A 951/4885HTR1D 2009/4885HTR1B 1498/4885

“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.