SCHEMBL21686519

SCHEMBL21686519

COc1cccc(C(O)(C(=O)N(C)CCC2CCC23CCN(c2ccc(C(=O)N(C)C4CC4)c(Cl)n2)CC3)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
PDK2 Q15119 1/20 0.33
OPRK1 P41145 3/20 0.33
WNK1 Q9H4A3 1/20 0.33
OPRD1 P41143 3/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.31
SMO Q99835 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CCR1 P32246 2/20 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
SCHEMBL21686494 1.00 TAF1 (0.34) TAF1CECR2BRD9PDK2OPRK1
SCHEMBL21644189 0.95 PDK2 (0.33) TAF1CECR2BRD9PDK2OPRK1
SCHEMBL21644191 0.95 PDK2 (0.33) TAF1CECR2BRD9PDK2OPRK1
SCHEMBL21686518 0.92 NR1H2 (0.31) OPRK1NR1H2NR1H3NPC1RAB9A
SCHEMBL21686308 0.90 KDM4E (0.33) OPRK1NR1H2NR1H3KDM4ELMNA
SCHEMBL21686260 0.89 IDH1 (0.36) SMN1; SMN2DRD4
SCHEMBL21686381 0.89 NR1H2 (0.35) OPRK1OPRD1NR1H2NR1H3KDM4E
SCHEMBL21644389 0.89 NR1H2 (0.35) OPRK1OPRD1NR1H2NR1H3KDM4E
SCHEMBL21644387 0.89 NR1H2 (0.35) OPRK1OPRD1NR1H2NR1H3KDM4E
SCHEMBL21644332 0.88 TAF1 (0.35) TAF1CECR2BRD9PDK2WNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TAF1 4232/4885CECR2 532/4885BRD9 2220/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 TAF1 4232/4885CECR2 532/4885BRD9 2220/4885

“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.