SCHEMBL2800183

SCHEMBL2800183

Cc1[c]cnc(C(=O)NCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
METAP2 P50579 1/20 0.40
MMP13 P45452 2/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
TP53 P04637 1/20 0.35
S1PR1 P21453 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL2798644 0.89 MMP13 (0.36) CNR1METAP2MMP13POLBMEN1
SCHEMBL4930787 0.80 BAZ2B (0.43) CNR1POLBHPGDRAB9ABRD4
SCHEMBL2800179 0.74 KDM4C (0.36) CNR1MEN1KMT2AMAPT
SCHEMBL13852609 0.72 KMT2A (0.52) CNR1MMP13POLBMEN1KMT2A
SCHEMBL15033682 0.70 METAP2 (0.46) CNR1METAP2POLBMEN1KMT2A
SCHEMBL7108474 0.69 CNR1 (0.53) CNR1POLBHPGDHTTRAB9A
SCHEMBL28292622 0.69 ANO1 (0.45) CNR1POLBKMT2A
SCHEMBL19145297 0.67 CNR1 (0.51) CNR1MMP13POLBHPGDHTT
SCHEMBL29314672 0.67 CNR1 (0.51) CNR1METAP2MMP13RAB9AKDM4E
SCHEMBL8945334 0.67 POLB (0.54) POLBHPGDHTTMEN1KMT2A

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
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 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-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A CNR1 506/4885METAP2 854/4885MMP13 2376/4885

“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.