SCHEMBL21686265

SCHEMBL21686265

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ CKS1B P61024 11/20 0.38
▸ SKP1 P63208 11/20 0.38
▸ SKP2 Q13309 11/20 0.38
▸ SMO Q99835 3/20 0.36
▸ NPY2R P49146 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32

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
SCHEMBL20071856 0.90 NR1H2 (0.48) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL23824830 0.90 NR1H2 (0.48) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL21686301 0.90 NR1H2 (0.48) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL23824834 0.90 NR1H2 (0.48) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL21686314 0.86 NR1H2 (0.40) NR1H2NR1H3SMONPY2R
SCHEMBL21686266 0.85 NR1H2 (0.57) NR1H2NR1H3NPY2R
SCHEMBL23838210 0.83 NR1H2 (0.43) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL21644334 0.83 SMO (0.35) NR1H2NR1H3SMO
SCHEMBL21644148 0.82 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL20071862 0.82 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 2/4885CKS1B 2960/4885
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 2/4885CKS1B 2960/4885

“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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