SCHEMBL3210068

SCHEMBL3210068

CC1(C)C(=O)NCCN1C(=O)CCl

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CNR2 P34972 1/20 0.36
PARP1 P09874 1/20 0.34
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.31
CASP2 P42575 1/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3542786 0.85 SMN1; SMN2 (0.45) SMN1; SMN2CNR2PARP1FAAHNAAA
SCHEMBL1632308 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CNR2PARP1FAAHNAAA
SCHEMBL17162718 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CNR2PARP1FAAHNAAA
SCHEMBL3212643 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CNR2PARP1ALDH1A1TSHR
SCHEMBL10734073 0.77 SMN1; SMN2 (0.37) SMN1; SMN2CNR2PARP1
SCHEMBL13223504 0.76 SMN1; SMN2 (0.38) SMN1; SMN2CNR2PARP1TSHRNPSR1
SCHEMBL1583189 0.75 POLB (0.41) SMN1; SMN2CNR2TSHRPOLBMEN1
SCHEMBL12003684 0.74 CACNA2D1 (0.44) SMN1; SMN2ALDH1A1HTT
SCHEMBL10738631 0.73 SMN1; SMN2 (0.39) SMN1; SMN2CNR2PARP1
SCHEMBL12003738 0.71 CACNA1B (0.44) SMN1; SMN2CNR2PARP1FAAHALDH1A1

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
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 SMN1; SMN2 4267/4885CNR2 4569/4885PARP1 2990/4885

“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.