SCHEMBL21686314

SCHEMBL21686314

CN(C)C(=O)c1ccc(N2CCC([C@@H]3C[C@H]3CN(C)C(=O)[C@@](C)(O)c3ccccc3)CC2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.40
▸ NR1H3 Q13133 3/20 0.40
▸ SMO Q99835 3/20 0.34
▸ DRD2 P14416 2/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ NPY2R P49146 1/20 0.30
▸ ME2 P23368 1/20 0.30
▸ ME1 P48163 1/20 0.30
▸ ME3 Q16798 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
SCHEMBL23824836 0.90 NR1H2 (0.49) NR1H2NR1H3SMODRD2OPRM1
SCHEMBL20074076 0.90 NR1H2 (0.49) NR1H2NR1H3SMODRD2OPRM1
SCHEMBL20071857 0.90 NR1H2 (0.49) NR1H2NR1H3SMODRD2OPRM1
SCHEMBL20074047 0.90 NR1H2 (0.49) NR1H2NR1H3SMODRD2OPRM1
SCHEMBL21686265 0.86 NR1H2 (0.39) NR1H2NR1H3SMONPY2R
SCHEMBL21686415 0.84 NR1H2 (0.57) NR1H2NR1H3TRPV4NPY2R
SCHEMBL20074075 0.84 NR1H2 (0.43) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL20071860 0.84 NR1H2 (0.43) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL23838132 0.83 NR1H2 (0.36) NR1H2NR1H3SMOIDH1
SCHEMBL23824832 0.83 NR1H2 (0.41) NR1H2NR1H3

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-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 — — US disclosed
US-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-02-06 — — 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 (2 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-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885SMO 2477/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885SMO 2477/4885

“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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