SCHEMBL4398017

SCHEMBL4398017

Nc1ccc(CCC(=O)N2CCC2)cc1

nearest known ligand 0.93

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
NAAA Q02083 1/20 0.62
POLB P06746 1/20 0.55
FKBP1A P62942 2/20 0.52
PPID Q08752 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52

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
SCHEMBL22851911 0.97 NPC1 (0.70) NPC1TDP1NAAAPOLBPPID
SCHEMBL16679367 0.95 NPC1 (0.68) NPC1TDP1NAAAPOLBPPID
SCHEMBL6966882 0.87 NPC1 (0.57) NPC1TDP1NAAAPPID
SCHEMBL8391980 0.85 FKBP1A (0.72) NPC1TDP1NAAAFKBP1A
SCHEMBL3141502 0.85 FKBP1A (0.52) NPC1TDP1NAAAPOLBFKBP1A
SCHEMBL9556740 0.85 NPC1 (0.51) NPC1TDP1NAAAPOLBFKBP1A
SCHEMBL25432319 0.82 NPC1 (0.93) NPC1TDP1NAAAPOLBFKBP1A
SCHEMBL23095801 0.82 SMN1; SMN2 (0.62) NPC1POLBPPID
SCHEMBL14100159 0.82 TSHR (0.72) NPC1TDP1NAAAFKBP1AGAA
SCHEMBL9557017 0.80 DPP4 (0.52) NPC1TDP1NAAAPOLBFKBP1A

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-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 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-20120282279-A1 Anti-Diabetic Compounds GLP1R, FGF2, FGFR1 NPC1 2418/4885TDP1 4429/4885NAAA 1593/4885

“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.