SCHEMBL6128607

SCHEMBL6128607

C=CCN1CC(C(=O)O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL692641 0.83 POLB (0.57) POLBSMN1; SMN2HTTALDH1A1GAA
SCHEMBL8271284 0.83 POLB (0.57) POLBSMN1; SMN2HTTALDH1A1GAA
Ammonia Solution, Strong SCHEMBL13280491 0.82 POLB (0.55) POLBSMN1; SMN2HTTALDH1A1GAA
SCHEMBL13472137 0.78 POLB (0.46) POLBSMN1; SMN2HTTKMT2AGAA
SCHEMBL26660473 0.77 KMT2A (0.46) POLBSMN1; SMN2HTTKMT2A
SCHEMBL8292848 0.73 L3MBTL1 (0.51) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL8001584 0.72 POLB (0.41) NPC1RAB9APOLBSMN1; SMN2HTT
SCHEMBL7464776 0.72 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL8859113 0.70 ACE (0.41) POLBALDH1A1KMT2A
SCHEMBL15018763 0.70 ACE (0.41) POLBALDH1A1KMT2A

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-8575349-B2 Derivatives of 1-alkyl-6-oxo-piperidine-3-carboxylic acids and 1-alkyl-5-oxo-pyrrolidine-3-carboxylic acids and their uses as cooling compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-11-05 US disclosed
US-8575349-B2 Derivatives of 1-alkyl-6-oxo-piperidine-3-carboxylic acids and 1-alkyl-5-oxo-pyrrolidine-3-carboxylic acids and their uses as cooling compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-11-05 US disclosed
US-8575349-B2 Derivatives of 1-alkyl-6-oxo-piperidine-3-carboxylic acids and 1-alkyl-5-oxo-pyrrolidine-3-carboxylic acids and their uses as cooling compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-11-05 US disclosed
US-20120129827-A1 NOVEL DERIVATIVES OF 1-ALKYL-6-OXO-PIPERIDINE-3-CARBOXYLIC ACIDS AND 1-ALKYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACIDS AND THEIR USES AS COOLING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-05-24 US disclosed
US-20120129827-A1 NOVEL DERIVATIVES OF 1-ALKYL-6-OXO-PIPERIDINE-3-CARBOXYLIC ACIDS AND 1-ALKYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACIDS AND THEIR USES AS COOLING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-05-24 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-20120129827-A1 NOVEL DERIVATIVES OF 1-ALKYL-6-OXO-PIPERIDINE-3-CARBOXYLIC ACIDS AND 1-ALKYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACIDS AND THEIR USES AS COOLING COMPOUNDS CPS1, COX5A, COX5B NPC1 2968/4885RAB9A 2023/4885POLB 369/4885

“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.