SCHEMBL5950313

SCHEMBL5950313

O=C(N[C@H]1CCCN(c2ccccc2)C1)N1[C@H]2CC[C@H]1CC(O)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 3/20 0.44
USP2 O75604 1/20 0.44
USP30 Q70CQ3 2/20 0.43
GAA P10253 1/20 0.43
CHRM1 P11229 3/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CASR P41180 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
SCD5 Q86SK9 1/20 0.39

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
SCHEMBL4011753 0.93 CNR1 (0.47) CNR1SMN1; SMN2NPSR1MAPK1USP2
SCHEMBL4150094 0.93 CNR1 (0.47) CNR1SMN1; SMN2NPSR1MAPK1USP2
SCHEMBL4003351 0.88 POLB (0.49) CNR1NPSR1MAPK1NOTUMALDH1A1
SCHEMBL5950786 0.88 CNR1 (0.41) CNR1SMN1; SMN2NPSR1USP2USP30
SCHEMBL4004043 0.88 CNR1 (0.41) CNR1SMN1; SMN2NPSR1USP2USP30
SCHEMBL4003357 0.88 POLB (0.49) CNR1NPSR1MAPK1NOTUMALDH1A1
SCHEMBL4138485 0.88 CNR1 (0.51) CNR1NPSR1USP2GAAALDH1A1
SCHEMBL4138489 0.88 CNR1 (0.51) CNR1NPSR1USP2GAAALDH1A1
SCHEMBL4003634 0.85 NOTUM (0.46) CNR1NPSR1NOTUMMEN1KMT2A
SCHEMBL5950811 0.85 USP14 (0.40) CNR1NPSR1USP30CHRM2

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-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CNR1 516/4885SMN1; SMN2 3627/4885NPSR1 615/4885

“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.