SCHEMBL2227648

SCHEMBL2227648

CN1CCN(C(=O)O)CC1c1nc(-c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TRPV1 Q8NER1 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.43
CPT2 P23786 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
CPT1B Q92523 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13719821 0.86 USP30 (0.55) CPT1ATRPV1CPT2
SCHEMBL13838069 0.78 RHOA (0.47) CPT1ARAB9ATRPV1LMNASMN1; SMN2
SCHEMBL3763231 0.76 FAAH (0.61) CPT1ATRPV1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2227118 0.76 HDAC4 (0.56)
SCHEMBL2226714 0.74 HPGDS (0.44) CPT1ARAB9ANPC1TRPV1LMNA
SCHEMBL18711879 0.72 FAAH (0.59) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1FAAH
SCHEMBL18115961 0.70 LMNA (0.69) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL18115963 0.70 LMNA (0.69) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL3761593 0.70 RAB9A (0.74) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL30212098 0.70 TRPV1 (0.66) CPT1ATRPV1CPT2CPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B CPT1A 1325/4885RAB9A 977/4885NPC1 825/4885

“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.