SCHEMBL5019456

SCHEMBL5019456

O=C1COC2(CCN(S(=O)(=O)c3cnc(-c4ccc5cccnc5c4)s3)CC2)CN1C1CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.74
LOXL2 Q9Y4K0 2/20 0.33
CHRNA7 P36544 2/20 0.33
GSK3B P49841 1/20 0.32
CHRM5 P08912 1/20 0.32
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL4538708 0.88 FASN (0.75) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4543069 0.86 FASN (0.72) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4541971 0.85 FASN (1.00) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL30552767 0.85 FASN (1.00) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4543638 0.85 FASN (0.80) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4541540 0.84 FASN (0.81) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4538377 0.83 FASN (0.83) FASNCHRNA7GSK3BCHRM5HTR7
SCHEMBL4537375 0.83 FASN (0.80) FASNCHRNA7GSK3BCHRM5
SCHEMBL4541495 0.83 FASN (0.80) FASNCHRNA7GSK3BCHRM5HTR6
SCHEMBL4536444 0.82 FASN (0.93) FASNCHRNA7GSK3BCHRM5HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US 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
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

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 2790/4885LOXL2 2409/4885CHRNA7 183/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885LOXL2 3180/4885CHRNA7 4712/4885

“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.