SCHEMBL18015261

SCHEMBL18015261

CC1(C)OB(c2ccc(C3=CCCCC3)nc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
P2RX7 Q99572 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LPL P06858 9/20 0.37
LIPG Q9Y5X9 9/20 0.37
MAPK1 P28482 1/20 0.34
F11 P03951 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
SCHEMBL12845155 0.80 LIPG (0.53) P2RX7LPLLIPGF11
SCHEMBL20068614 0.79 DGAT1 (0.56) DGAT1LPLLIPGF11
SCHEMBL22448166 0.79 LIPG (0.51) P2RX7LPLLIPGF11
SCHEMBL17787540 0.77 DGAT1 (0.43) DGAT1P2RX7LPLLIPG
SCHEMBL18015695 0.77 DGAT1 (0.44) DGAT1LPLLIPGF11
SCHEMBL21202836 0.75 P2RX7 (0.39) DGAT1P2RX7LPLLIPGF11
SCHEMBL22448147 0.75 LIPG (0.54) P2RX7LPLLIPGMAPK1F11
SCHEMBL21202800 0.75 DGAT1 (0.43) DGAT1LPLLIPG
SCHEMBL21125909 0.75 DGAT1 (0.67) DGAT1LPLLIPG
SCHEMBL23211089 0.73 DGAT1 (0.40) DGAT1

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC DGAT1 1835/4885TDP1 2457/4885P2RX7 1254/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 DGAT1 1328/4885TDP1 3214/4885P2RX7 3679/4885

“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.