SCHEMBL20071913

SCHEMBL20071913

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C(O)(c3cccc(C4CC4)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
GRM2 Q14416 2/20 0.34
CHRM4 P08173 1/20 0.33
DRD2 P14416 4/20 0.32
DRD3 P35462 3/20 0.32
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TPH1 P17752 1/20 0.30
MLYCD O95822 2/20 0.30
USP5 P45974 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
SCHEMBL21644330 1.00 NR1H2 (0.40) NR1H2NR1H3GRM2CHRM4DRD2
SCHEMBL23824826 1.00 NR1H2 (0.40) NR1H2NR1H3GRM2CHRM4DRD2
SCHEMBL20074096 0.92 NR1H2 (0.36) NR1H2NR1H3GRM2TDP1
SCHEMBL23838196 0.92 NR1H2 (0.36) NR1H2NR1H3GRM2TDP1
SCHEMBL23838164 0.92 NR1H2 (0.36) NR1H2NR1H3GRM2TDP1
SCHEMBL20071835 0.92 NR1H2 (0.36) NR1H2NR1H3GRM2TDP1
SCHEMBL20071914 0.92 NR1H2 (0.36) NR1H2NR1H3GRM2TDP1
SCHEMBL20072157 0.92 NR1H2 (0.41) NR1H2NR1H3CHRM4DRD2DRD3
SCHEMBL21686280 0.92 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20072156 0.92 NR1H2 (0.41) NR1H2NR1H3CHRM4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
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-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
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
WO-2018068297-A1 N-ARYL AND N-HETEROARYL 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 (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 2/4885GRM2 604/4885
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 2/4885GRM2 604/4885

“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.