SCHEMBL4537573

SCHEMBL4537573

CC(C)N1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)OCC1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.74
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LRRK2 Q5S007 2/20 0.37
CHRM5 P08912 1/20 0.36
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4542033 0.89 FASN (0.77) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4543103 0.87 FASN (0.73) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4539663 0.87 FASN (0.73) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL5019401 0.87 FASN (0.73) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4536294 0.86 FASN (0.56) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4537579 0.85 FASN (0.71) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4540768 0.85 FASN (0.71) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4541971 0.85 FASN (1.00) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL30552767 0.85 FASN (1.00) FASNALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL4541212 0.85 FASN (0.55) FASNALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP claimed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US claimed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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 (2 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885ALDH1A1 934/4885L3MBTL1 2138/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885ALDH1A1 199/4885L3MBTL1 4208/4885

“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.