SCHEMBL21471053

SCHEMBL21471053

COC1CCN(C(=O)CCCCCCCC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
GNAI3 P08754 8/20 0.46
GNAO1 P09471 8/20 0.46
GNAI1 P63096 8/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
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
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39

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) NPC1GNAI3GNAO1GNAI1CHRM2
SCHEMBL22147051 0.83 NPC1 (0.50) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL27456325 0.83 GNAI3 (0.65) NPC1GNAI3GNAO1GNAI1MAPT
SCHEMBL20095287 0.83 GNAI3 (0.65) NPC1GNAI3GNAO1GNAI1MAPT
SCHEMBL29317702 0.82 NPC1 (0.49) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL23594627 0.80 NPC1 (0.50) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL26568580 0.79 NPC1 (0.46) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL21016236 0.79 L3MBTL1 (0.61) GNAI3GNAO1GNAI1ALDH1A1L3MBTL1
SCHEMBL13202812 0.78 L3MBTL1 (0.62) GNAI3GNAI1ALDH1A1L3MBTL1
SCHEMBL14820156 0.78 ALDH1A1 (0.50) NPC1ALDH1A1KDM4ELMNAMAPT

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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 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 (3 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT NPC1 198/4885GNAI3 562/4885GNAO1 470/4885
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT NPC1 167/4885GNAI3 736/4885GNAO1 713/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT NPC1 167/4885GNAI3 736/4885GNAO1 713/4885

“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.