SCHEMBL18930451

SCHEMBL18930451

CN(C)C(=O)c1ccc(N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.51
NR1H3 Q13133 4/20 0.51
CNR1 P21554 1/20 0.49
GPR119 Q8TDV5 9/20 0.46
DRD2 P14416 2/20 0.42
TGFBR1 P36897 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18921612 0.90 NR1H2 (0.55) NR1H2NR1H3CNR1GPR119
SCHEMBL18921618 0.87 NR1H2 (0.59) NR1H2NR1H3GPR119MAPT
SCHEMBL3486236 0.86 NR1H2 (0.66) NR1H2NR1H3GPR119
SCHEMBL18921589 0.85 NR1H2 (0.54) NR1H2NR1H3GPR119MAPT
SCHEMBL18921637 0.85 GPR119 (0.58) NR1H2NR1H3GPR119
SCHEMBL18921600 0.84 NR1H2 (0.51) NR1H2NR1H3CNR1GPR119
SCHEMBL22625866 0.84 NR1H2 (0.53) NR1H2NR1H3DRD2MAPT
SCHEMBL18921605 0.81 NR1H2 (0.48) NR1H2NR1H3DRD2
SCHEMBL30032623 0.81 NR1H2 (0.49) NR1H2NR1H3GPR119MAPT
SCHEMBL30906299 0.80 GPR119 (0.47) CNR1GPR119TGFBR1MAPT

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
EP-3383853-B1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR (LXR) BETA AGONISTS FOR TREATING E.G. ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
US-10752587-B2 Homobispiperidinyl derivatives as liver X receptor beta agonists, compositions and their use MERCK SHARP & DOHME CORP. (US) 2020-08-25 US disclosed
US-20180354901-A1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-12-13 US disclosed
WO-2017095758-A1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-06-08 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 (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-10752587-B2 Homobispiperidinyl derivatives as liver X receptor beta agonists, compositions and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885CNR1 94/4885
US-20180354901-A1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS AND THEIR USE NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885CNR1 94/4885

“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.