SCHEMBL18458463

SCHEMBL18458463

CCNC(=O)CN(C)CCNC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MCL1 Q07820 1/20 0.32
FAAH O00519 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
DNM1 Q05193 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
SCHEMBL19309064 0.82 MEN1 (0.35) FAAHTSHRALDH1A1HPGD
SCHEMBL19880249 0.80 MMP1 (0.36) ALDH1A1HPGD
SCHEMBL19069820 0.78 MVD (0.41) TSHR
SCHEMBL18596711 0.78 PAOX (0.31) ALDH1A1
SCHEMBL26700604 0.77 DNM1 (0.32) ALDH1A1DNM1
SCHEMBL24773822 0.76 FAAH (0.45) CAPN1MCL1FAAHTSHRALDH1A1
SCHEMBL8434249 0.76 MCL1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4MCL1
SCHEMBL22302219 0.74 MEN1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL25090005 0.74 DNM1 (0.34) CHRNB2CHRNB4CHRNA4ALDH1A1DNM1
SCHEMBL25129628 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757373-B2 MetAP2 inhibitors and methods of treating obesity SYNDEVRX, INC. (US) 2017-09-12 US disclosed
US-20170028014-A1 METAP2 INHIBITORS AND METHODS OF TREATING OBESITY SYNDEVRX, INC. 2017-02-02 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 (1 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-20170028014-A1 METAP2 INHIBITORS AND METHODS OF TREATING OBESITY METAP2, ADIPOR2, METAP1 CAPN1 1481/4885CHRNB2 4196/4885CHRNB4 4735/4885

“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.