SCHEMBL20077155

SCHEMBL20077155

COc1cccc(C(O)(C(=O)N2CCC(CCC[C@H](C)Nc3ccc(C(=O)N(C)C)c(Cl)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.53
▸ NR1H3 Q13133 4/20 0.53
▸ PDK2 Q15119 3/20 0.38
▸ CCR3 P51677 2/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMO Q99835 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKG1 Q13976 1/20 0.33
▸ REN P00797 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL20077550 1.00 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3CHRM4
SCHEMBL22895048 1.00 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3CHRM4
SCHEMBL20077156 1.00 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3CHRM4
SCHEMBL20077551 1.00 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3CHRM4
SCHEMBL20077153 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2REN
SCHEMBL22895045 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2REN
SCHEMBL20077244 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2REN
SCHEMBL22894992 0.91 NR1H2 (0.64) NR1H2NR1H3PDK2
SCHEMBL22894969 0.91 NR1H2 (0.64) NR1H2NR1H3PDK2
SCHEMBL20077151 0.91 NR1H2 (0.64) NR1H2NR1H3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 — — US disclosed
WO-2018071315-A2 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
WO-2018068296-A1 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO 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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 NR1H2 1/4885NR1H3 2/4885PDK2 1608/4885

“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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