SCHEMBL381396

SCHEMBL381396

CN(CCCC(Cc1ccccc1)NC(=O)O)C(=O)c1ccc(CO)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.37
CNR1 P21554 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMO Q99835 1/20 0.35
CCR1 P32246 1/20 0.35
P4HTM Q9NXG6 1/20 0.34
FAAH O00519 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
CA2 P00918 1/20 0.33

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
SCHEMBL381068 0.81 ATM (0.41) CYP3A4
SCHEMBL381656 0.81 HCRTR1 (0.38) MMECYP3A4
SCHEMBL15061458 0.76 MEN1 (0.41) CNR1CYP3A4P4HTM
SCHEMBL15061460 0.76 TSHR (0.37) CNR1CYP3A4P4HTM
SCHEMBL381398 0.74 CNR1 (0.41) CNR1CYP3A4FAAH
SCHEMBL381397 0.74 HDAC1 (0.41) CNR1P4HTM
SCHEMBL21628079 0.71 MME (0.50) MMECYP3A4MAPK1MC4RMC3R
SCHEMBL27850558 0.71 P4HTM (0.37) CNR1CYP3A4P4HTM
SCHEMBL29024939 0.69 KDM4E (0.43) CNR1CYP3A4P4HTM
SCHEMBL30503685 0.69 KDM4E (0.43) CNR1CYP3A4P4HTM

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 MME 1343/4885CNR1 143/4885CYP3A4 1866/4885

“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.