SCHEMBL18748005

SCHEMBL18748005

CNC(=O)C1(N(Cc2ccc(OC)cc2)C(=O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 3/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ STS P08842 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37

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
SCHEMBL17113489 0.92 LMNA (0.44) LMNAMAPTSMN1; SMN2OPRM1OPRD1
SCHEMBL17129363 0.85 OPRD1 (0.42) LMNAMAPTSMN1; SMN2OPRM1OPRD1
SCHEMBL21788922 0.74 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2OPRM1OPRD1
SCHEMBL22911797 0.73 LMNA (0.43) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL20644753 0.72 LMNA (0.42) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL2777683 0.72 SMN1; SMN2 (0.57) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL18669630 0.71 STS (0.47) LMNAMAPTSMN1; SMN2ALDH1A1EPHX2
SCHEMBL6159582 0.70 LMNA (0.49) LMNAMAPTSMN1; SMN2OPRM1OPRD1
SCHEMBL23986656 0.70 ALDH1A1 (0.66) LMNAMAPTALDH1A1
SCHEMBL21777961 0.69 HTT (0.41) SMN1; SMN2ALDH1A1STSKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 — — US disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 — — US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 — — US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 — — 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-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 LMNA 1356/4885MAPT 1267/4885SMN1; SMN2 2746/4885

“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.

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