SCHEMBL16634803

SCHEMBL16634803

O=C(CN1CCOCC1)N1CCN(Cc2ccc3c(c2)CCNC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
AKR1C3 P42330 1/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHEK1 O14757 2/20 0.41
ALDH1A1 P00352 4/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL14615209 0.86 SMN1; SMN2 (0.53) TSHRHRH3MAPK1NPC1SMN1; SMN2
SCHEMBL16645226 0.85 ACHE (0.40) TSHRHRH3AKR1C3SMN1; SMN2FAAH
SCHEMBL16634941 0.83 LMNA (0.48) TSHRAKR1C3SMN1; SMN2FAAHKMT2A
SCHEMBL14615001 0.81 SMN1; SMN2 (0.53) TSHRHRH3MAPK1NPC1SMN1; SMN2
SCHEMBL17969237 0.81 TSHR (0.47) TSHRALOX15HSD17B10HRH3AKR1C3
SCHEMBL16645227 0.80 FAAH (0.42) TSHRALOX15MAPK1SMN1; SMN2TP53
SCHEMBL4814888 0.78 TSHR (0.49) TSHRALOX15HSD17B10HRH3AKR1C3
SCHEMBL4563662 0.76 ALDH1A1 (0.54) ALOX15HSD17B10HRH3MAPK1KMT2A
SCHEMBL31062459 0.76 SMN1; SMN2 (0.58) TSHRHRH3MAPK1NPC1SMN1; SMN2
SCHEMBL3698036 0.76 SMN1; SMN2 (0.58) TSHRHRH3MAPK1NPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055304-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS Eli Lilly and Company (US) 2016-08-17 EP 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
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
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 TSHR 3134/4885ALOX15 3152/4885HSD17B10 1415/4885

“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.