SCHEMBL13539964

SCHEMBL13539964

CCC(=O)C(CCCCN=[N+]=[N-])NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ FOLH1 Q04609 3/20 0.32
▸ TLR2 O60603 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GNPAT O15228 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
SCHEMBL24012402 0.84 CNR2 (0.32) CHRM2CHRM4CHRM1FOLH1
SCHEMBL22375469 0.83 FOLH1 (0.33) CHRM2CHRM4CHRM1FOLH1
SCHEMBL22375760 0.82 ADRB2 (0.31) FOLH1CTSLCTSB
SCHEMBL24012449 0.81 FOLH1 (0.30) FOLH1
SCHEMBL21566740 0.76 SIRT6 (0.57) CHRM2CHRM4CHRM1SIRT6SIRT1
SCHEMBL13998248 0.76 SIRT6 (0.57) CHRM2CHRM4CHRM1SIRT6SIRT1
SCHEMBL14771639 0.74 SIRT6 (0.52) CHRM2CHRM4CHRM1SIRT6SIRT1
SCHEMBL13539965 0.74 NOS1 (0.40) CHRM2CHRM4CHRM1BLM
SCHEMBL14950991 0.74 FOLH1 (0.32) CHRM2CHRM4CHRM1FOLH1
SCHEMBL15706851 0.74 FOLH1 (0.32) CHRM2CHRM4CHRM1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9188584-B2 Capture agents and related compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-11-17 — — US disclosed
US-8906830-B2 Capture agents and related compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-09 — — US disclosed
US-20110263515-A1 CAPTURE AGENTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 — — US disclosed
US-20100009896-A1 CAPTURE AGENTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — 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 (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-20100009896-A1 CAPTURE AGENTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS HAVCR2, CD47, EPCAM CHRM2 2130/4885CHRM4 1101/4885CHRM1 2599/4885
US-20110263515-A1 CAPTURE AGENTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS HAVCR2, CD47, EPCAM CHRM2 2130/4885CHRM4 1101/4885CHRM1 2599/4885

“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.

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