SCHEMBL20071815

SCHEMBL20071815

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C(O)(c3cc(F)cc(Cl)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TPH1 P17752 1/20 0.31
CYP3A4 P08684 1/20 0.30
TACR1 P25103 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
SCHEMBL21644199 1.00 NR1H2 (0.38) NR1H2NR1H3MEN1KMT2ASLC6A3
SCHEMBL21644258 1.00 NR1H2 (0.38) NR1H2NR1H3MEN1KMT2ASLC6A3
SCHEMBL20071912 0.95 NR1H2 (0.39) NR1H2NR1H3MEN1KMT2ASLC6A3
SCHEMBL20074045 0.95 NR1H2 (0.39) NR1H2NR1H3MEN1KMT2ASLC6A3
SCHEMBL21686280 0.90 NR1H2 (0.41) NR1H2NR1H3SLC6A3TMEM97TDP1
SCHEMBL23838195 0.89 NR1H2 (0.35) NR1H2NR1H3SLC6A3TMEM97TDP1
SCHEMBL20072193 0.88 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL20071820 0.88 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL20072157 0.87 NR1H2 (0.41) NR1H2NR1H3CYP3A4TACR1
SCHEMBL20074068 0.87 NR1H2 (0.41) NR1H2NR1H3CYP3A4TACR1

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 8 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-2018071313-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO 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 2/4885MEN1 4479/4885
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 2/4885MEN1 4479/4885

“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.