SCHEMBL1948827

SCHEMBL1948827

CC(C)(C)OC(=O)N1CCc2cc(NCc3ccccc3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.60
HSD17B3 P37058 1/20 0.55
NR1H2 P55055 1/20 0.53
NAMPT P43490 5/20 0.48
ACHE P22303 1/20 0.48
TMPRSS2 O15393 1/20 0.48
HCRTR2 O43614 4/20 0.48
HCRTR1 O43613 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
PTK2 Q05397 2/20 0.44

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
SCHEMBL1948364 0.90 ESR2 (0.60) ESR2HSD17B3NR1H2NAMPTTMPRSS2
SCHEMBL17797522 0.89 ESR2 (0.56) ESR2NR1H2NAMPTTMPRSS2NPC1
SCHEMBL2639196 0.84 HSD17B3 (0.68) HSD17B3TMPRSS2HCRTR2HCRTR1TMEM97
SCHEMBL25074088 0.84 ESR2 (0.61) ESR2NR1H2NAMPTNPC1RAB9A
SCHEMBL6882871 0.84 RYR2 (0.55) HSD17B3NAMPTACHEMAPK1
SCHEMBL2181843 0.84 ESR2 (0.58) ESR2NR1H2NAMPTTMPRSS2TMEM97
SCHEMBL20536418 0.83 HSD17B3 (0.57) HSD17B3NAMPTTMPRSS2HCRTR2HCRTR1
SCHEMBL1188540 0.83 ESR2 (0.62) ESR2NR1H2NAMPTTMPRSS2NPC1
SCHEMBL31173434 0.83 ESR2 (0.62) ESR2NR1H2NAMPTNPC1RAB9A
SCHEMBL3007628 0.81 ESR2 (0.53) ESR2NR1H2NAMPTTMPRSS2HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP disclosed
US-8426442-B2 Compounds XENTION LTD (GB) 2013-04-23 US disclosed
EP-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP disclosed
US-20110136860-A1 Compounds XENTION LTD. (GB) 2011-06-09 US disclosed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 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-20110136860-A1 Compounds NR3C2, NR5A1, NR0B2 ESR2 394/4885HSD17B3 225/4885NR1H2 8/4885

“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.