SCHEMBL20072200

SCHEMBL20072200

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C3(c4ccccc4)CCOCC3)CC2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C19 P33261 1/20 0.37
ACACB O00763 3/20 0.36
ACACA Q13085 3/20 0.36
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.34
NAPEPLD Q6IQ20 5/20 0.34
PIK3CB P42338 1/20 0.34
MAPK8 P45983 1/20 0.34
ACHE P22303 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL20072053 0.96 ACACB (0.36) TSHRLMNACYP2C19ACACBACACA
SCHEMBL20072052 0.96 ACACB (0.36) TSHRLMNACYP2C19ACACBACACA
SCHEMBL21644274 0.96 ACACB (0.36) TSHRLMNACYP2C19ACACBACACA
SCHEMBL20071993 0.93 SIGMAR1 (0.36) TSHRACACBACACAALDH1A1OPRM1
SCHEMBL20071992 0.93 SIGMAR1 (0.36) TSHRACACBACACAOPRM1MAPK8
SCHEMBL20071995 0.90 NPC1 (0.37) LMNAACACBACACAALDH1A1NAPEPLD
SCHEMBL20071812 0.87 ACHE (0.35) ACACBACACANAPEPLDPIK3CBMAPK8
SCHEMBL20072283 0.86 GPR119 (0.36) ACACBACACAMAPK8ACHESMN1; SMN2
SCHEMBL21644308 0.86 GPR119 (0.36) ACACBACACAMAPK8ACHESMN1; SMN2
SCHEMBL20071908 0.86 GPR119 (0.36) ACACBACACAMAPK8ACHESMN1; SMN2

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-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
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

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 TSHR 457/4885LMNA 1299/4885CYP2C19 362/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 TSHR 457/4885LMNA 1299/4885CYP2C19 362/4885

“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.