SCHEMBL16645227

SCHEMBL16645227

CC(C)(O)CC(=O)N1CCN(Cc2ccc3c(c2)CCNC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16634930 0.80 FAAH (0.44) FAAHSMN1; SMN2LMNACYP2C9ALDH1A1
SCHEMBL16634803 0.80 TSHR (0.47) FAAHSMN1; SMN2ALOX15TSHRALDH1A1
SCHEMBL22446081 0.79 ALDH1A1 (0.39) FAAHSMN1; SMN2LMNACYP2D6CYP2C9
SCHEMBL14615352 0.78 ASIC3 (0.53) LMNA
Hydrochloric Acid SCHEMBL31013880 0.77 ASIC3 (0.52) LMNA
SCHEMBL16645225 0.77 ESR2 (0.56) FAAHKDM4EMEN1TP53MAPK1
SCHEMBL16645226 0.77 ACHE (0.40) FAAHSMN1; SMN2LMNATSHRCYP2C19
SCHEMBL12342510 0.76 HRH3 (0.51) MEN1KMT2ATDP1
SCHEMBL14615208 0.76 HRH3 (0.54) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL16634941 0.75 LMNA (0.48) FAAHSMN1; SMN2LMNATSHRCYP2C19

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
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 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 (1 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-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT FAAH 2036/4885SMN1; SMN2 3720/4885LMNA 1449/4885

“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.