SCHEMBL31596990

SCHEMBL31596990

CC(C)(C)OC(=O)NCCCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
TDP1 Q9NUW8 1/20 0.55
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
SIGMAR1 Q99720 2/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4572542 0.97 DRD2 (0.60) DRD2TDP1ACHEBACE1CHRM2
SCHEMBL4743239 0.95 ACHE (0.58) DRD2TDP1ACHEBACE1CHRM2
Iodide SCHEMBL15145961 0.92 DRD2 (0.57) DRD2TDP1ACHEBACE1CHRM2
SCHEMBL3524057 0.91 DRD2 (0.66) DRD2TDP1SIGMAR1MAOAMAOB
SCHEMBL9127008 0.89 DRD2 (0.60) DRD2TDP1ACHEBACE1SIGMAR1
SCHEMBL485945 0.89 DRD2 (0.55) DRD2TDP1ACHEBACE1CHRM2
SCHEMBL7220892 0.89 DRD2 (0.55) DRD2TDP1ACHEBACE1CHRM2
SCHEMBL30572390 0.88 DRD2 (0.57) DRD2TDP1CHRM2CHRM4CHRM5
SCHEMBL8254760 0.87 DRD2 (0.64) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL4024516 0.87 DRD2 (0.56) DRD2TDP1ACHEBACE1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109097-A2 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-30 WO disclosed
US-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-29 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-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF NAMPT, NAPRT, NNMT DRD2 4481/4885TDP1 2183/4885ACHE 4093/4885

“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.