SCHEMBL21544697

SCHEMBL21544697

COc1ccc(N2CC(C(=O)O)C2)cc1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NAAA Q02083 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
AKR1C3 P42330 1/20 0.47
NOTUM Q6P988 3/20 0.46
MEN1 O00255 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPK1 P28482 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL21552709 0.98 L3MBTL1 (0.51) GAAL3MBTL1NAAAALDH1A1KMT2A
Potassium Ion SCHEMBL21544694 0.82 NAAA (0.49) GAAL3MBTL1NAAAALDH1A1KMT2A
SCHEMBL2074046 0.82 GAA (0.64) GAAL3MBTL1NAAAALDH1A1KMT2A
SCHEMBL21544662 0.78 ALDH1A1 (0.53) GAANAAAALDH1A1KMT2AMEN1
SCHEMBL26089332 0.78 L3MBTL1 (0.48) GAAL3MBTL1NAAAALDH1A1KMT2A
SCHEMBL28731178 0.77 HTR3E (0.52) GAAL3MBTL1NAAAALDH1A1KMT2A
SCHEMBL17027050 0.76 NOTUM (0.72) ALDH1A1KMT2ANOTUMMEN1
SCHEMBL16695293 0.75 NOTUM (0.75) ALDH1A1AKR1C3NOTUMMAPTSMN1; SMN2
SCHEMBL22804834 0.75 NOTUM (0.51) ALDH1A1KMT2AAKR1C3NOTUMCES2
SCHEMBL6270203 0.75 HTT (0.63) GAAALDH1A1MAPTHTT

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-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NORTHEASTERN UNIVERSITY (US) 2020-06-23 US disclosed
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NORTHEASTERN UNIVERSITY 2019-11-14 US disclosed
WO-2019217977-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND USE THEREOF NORTHEASTERN UNIVERSITY (US) 2019-11-14 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 (2 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-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NAAA, NAT1, ACHE GAA 186/4885L3MBTL1 4352/4885NAAA 1/4885
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NAAA, NAT1, ACHE GAA 186/4885L3MBTL1 4352/4885NAAA 1/4885

“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.