SCHEMBL17817027

SCHEMBL17817027

CCCCCCCCCCCCCC[N+](C)(C)CC(=O)NCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.47
KMT2A Q03164 5/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL21998656 0.84 MAPK1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL21998655 0.84 MAPK1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL21999368 0.84 MAPK1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL23001106 0.82 HTT (0.46) KMT2AMAPK1MEN1HTT
SCHEMBL9549259 0.81 FAAH (0.43) RAB9AKMT2AMAPK1MEN1
SCHEMBL9549652 0.81 FAAH (0.43) RAB9AKMT2AMAPK1MEN1
SCHEMBL9549107 0.81 FAAH (0.43) RAB9AKMT2AMAPK1MEN1
Trimethylammonium SCHEMBL28144112 0.80 MAPK1 (0.52) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL6359808 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9549206 0.80 FAAH (0.42) RAB9AKMT2AMAPK1MEN1

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-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 RAB9A 3510/4885SMN1; SMN2 623/4885NPC1 2561/4885

“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.