SCHEMBL1809320

SCHEMBL1809320

CCCC(C)C(CC)C(=O)N(N)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL277889 0.75 CA1 (0.43) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28926191 0.75 CHRM1 (0.36) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27687835 0.73 CHRM1 (0.42) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20490047 0.73 CHRM1 (0.42) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL277403 0.73 CHRM1 (0.54) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8847477 0.71 CHRM1 (0.41) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15231387 0.68 CA2 (0.38) CA1CA2TSHR
SCHEMBL14613112 0.67 METAP1 (0.38) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11805982 0.66 CHRM1 (0.50) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4987706 0.65 CHRM1 (0.44) METAP1CHRM1AKR1A1CHRM3HTR2A

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-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 METAP1 1135/4885CHRM1 4532/4885AKR1A1 1406/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 METAP1 2237/4885CHRM1 4768/4885AKR1A1 1585/4885

“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.