SCHEMBL4538377

SCHEMBL4538377

O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)nc3)CC2)CN1C1CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.83
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CHRM5 P08912 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM4 P08173 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADRB3 P13945 1/20 0.32
TGM2 P21980 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL30552767 0.91 FASN (1.00) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4541971 0.91 FASN (1.00) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4536444 0.88 FASN (0.93) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4540792 0.87 FASN (0.82) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4543592 0.86 FASN (0.81) FASNHTR7HTR6CHRM5CHRNA7
SCHEMBL4543118 0.86 FASN (0.81) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4537999 0.86 FASN (0.81) FASNHTR7HTR6CHRM5ALDH1A1
SCHEMBL4534393 0.85 FASN (0.62) FASNALDH1A1MAPK1CHRNA7MEN1
SCHEMBL4543638 0.85 FASN (0.80) FASNHTR7HTR6CHRM5CHRNA7
SCHEMBL4539747 0.85 FASN (0.89) FASNHTR7HTR6CHRM5ALDH1A1

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 13 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
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 2790/4885HTR7 1522/4885HTR6 750/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885HTR7 3274/4885HTR6 2872/4885

“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.