SCHEMBL26568580

SCHEMBL26568580

COC1CCN(C(=O)CCCCCCC[SH](C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
GNAI3 P08754 9/20 0.46
GNAI1 P63096 9/20 0.46
GNAO1 P09471 8/20 0.46
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL26748741 0.89 NPC1 (0.56) NPC1GNAI3GNAI1GNAO1CHRM2
SCHEMBL20095287 0.83 GNAI3 (0.65) NPC1GNAI3GNAI1GNAO1MAPT
SCHEMBL27456325 0.83 GNAI3 (0.65) NPC1GNAI3GNAI1GNAO1MAPT
SCHEMBL21471053 0.79 NPC1 (0.46) NPC1GNAI3GNAI1GNAO1CHRM2
SCHEMBL23136096 0.76 NPC1 (0.47) NPC1GNAI3GNAI1GNAO1KDM4E
SCHEMBL12521994 0.76 NPC1 (0.47) NPC1GNAI3GNAI1GNAO1KDM4E
SCHEMBL23795580 0.75 GNAI3 (0.57) NPC1GNAI3GNAI1GNAO1MAPT
SCHEMBL23795569 0.75 ITGB3 (0.46) NPC1GNAI3GNAI1GNAO1CHRM2
SCHEMBL6043340 0.73 NPC1 (0.45) NPC1GNAI3GNAI1GNAO1CHRM2
SCHEMBL6043336 0.73 NPC1 (0.45) NPC1GNAI3GNAI1GNAO1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 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 (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-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT NPC1 167/4885GNAI3 736/4885GNAI1 448/4885

“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.