SCHEMBL22894972

SCHEMBL22894972

NC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.51
▸ NR1H3 Q13133 2/20 0.51
▸ CHRM2 P08172 6/20 0.40
▸ CHRM1 P11229 6/20 0.40
▸ CHRM3 P20309 6/20 0.40
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ GPR119 Q8TDV5 4/20 0.38
▸ AVPR2 P30518 2/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ NAMPT P43490 1/20 0.36
▸ PDK2 Q15119 1/20 0.36

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
SCHEMBL20077563 1.00 NR1H2 (0.51) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22894951 0.90 NR1H2 (0.51) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22894952 0.90 NR1H2 (0.51) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL20077326 0.89 NR1H2 (0.66) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL20077267 0.89 NR1H2 (0.66) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL20077650 0.83 ITGB3 (0.39) ITGB3ITGA2BGPR119AVPR2ACP1
SCHEMBL22894988 0.83 NR1H2 (0.44) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL20077328 0.83 NR1H2 (0.44) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22894975 0.82 NR1H2 (0.43) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22894974 0.82 NR1H2 (0.43) NR1H2NR1H3CHRM2CHRM1CHRM3

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 1 patent. 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

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 2/4885CHRM2 52/4885

“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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