SCHEMBL16679367

SCHEMBL16679367

Nc1ccc(CCC(=O)N2CCCCC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
NAAA Q02083 1/20 0.65
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
PPID Q08752 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55

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 0.98 NPC1 (0.70) NPC1TDP1NAAAPOLBPPID
SCHEMBL4398017 0.95 NPC1 (0.65) NPC1TDP1NAAAPOLBPPID
SCHEMBL6966882 0.89 NPC1 (0.57) NPC1TDP1NAAAPPID
SCHEMBL9556740 0.84 NPC1 (0.51) NPC1TDP1NAAAPOLBTSHR
SCHEMBL3141502 0.84 FKBP1A (0.52) NPC1TDP1NAAAPOLBTSHR
SCHEMBL8391980 0.84 FKBP1A (0.72) NPC1TDP1NAAAALDH1A1TSHR
SCHEMBL8701414 0.83 NPC1 (0.68) NPC1TDP1NAAAPOLBALDH1A1
SCHEMBL13900106 0.83 NPC1 (0.68) NPC1TDP1NAAAPOLBALDH1A1
SCHEMBL17087869 0.83 NPC1 (0.96) NPC1TDP1NAAAPOLBTSHR
SCHEMBL6285963 0.83 NPC1 (0.96) NPC1TDP1NAAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US disclosed
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 US disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 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-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 NPC1 1960/4885TDP1 3647/4885NAAA 3980/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 NPC1 1960/4885TDP1 3647/4885NAAA 3980/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 NPC1 1960/4885TDP1 3647/4885NAAA 3980/4885

“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.