SCHEMBL22007680

SCHEMBL22007680

C=CC[C@]1(F)OCCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
RIPK1 Q13546 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
SCHEMBL17662032 0.83 NAAA (0.39) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL14377672 0.83 NAAA (0.39) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL28562892 0.81 NAAA (0.38) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL21386027 0.81 NAAA (0.38) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL28562889 0.81 NAAA (0.38) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL17662070 0.80 NAAA (0.41) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL14377659 0.79 RIPK1 (0.38) ALDH1A1HPGDHTTPOLBCYP1A2
SCHEMBL17837282 0.78 NAAA (0.36) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL17662078 0.77 FAAH (0.35) NAAAFAAHALDH1A1HPGDHTT
SCHEMBL18093605 0.77 ALDH1A1 (0.40) ALDH1A1HPGDHTTPOLBCYP1A2

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
US-10906875-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-02 US disclosed
US-20200157049-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 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 (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-10906875-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB NAAA 2288/4885FAAH 3261/4885ALDH1A1 2648/4885
US-20200157049-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB NAAA 2288/4885FAAH 3261/4885ALDH1A1 2648/4885

“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.