SCHEMBL17837282

SCHEMBL17837282

C=CCC1(CNC(=O)O)OCCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 6/20 0.33
POLB P06746 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
ADRB2 P07550 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL17858977 0.86 NPFFR1 (0.37) ALDH1A1POLBMAPTTSHRADRB2
SCHEMBL21386027 0.85 NAAA (0.38) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL28562892 0.85 NAAA (0.38) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL28562889 0.85 NAAA (0.38) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL17662070 0.84 NAAA (0.41) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL17662076 0.81 NAAA (0.35) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL17662078 0.81 FAAH (0.35) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL17662039 0.80 NAAA (0.44) NAAAFAAHALDH1A1NPSR1
SCHEMBL17662032 0.78 NAAA (0.39) NAAAFAAHALDH1A1POLBMAPT
SCHEMBL22007680 0.78 NAAA (0.39) NAAAFAAHALDH1A1POLBMAPT

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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 US disclosed
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-24 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 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 (4 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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 NAAA 964/4885FAAH 3847/4885ALDH1A1 122/4885
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 NAAA 964/4885FAAH 3847/4885ALDH1A1 122/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 NAAA 1019/4885FAAH 3811/4885ALDH1A1 156/4885
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 NAAA 1019/4885FAAH 3811/4885ALDH1A1 156/4885

“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.