SCHEMBL19612650

SCHEMBL19612650

CCCCCCCCCCCCCCCC(=O)N1CCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 1.00
FAAH O00519 1/20 1.00
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GNAI3 P08754 7/20 0.46
GNAI1 P63096 7/20 0.46
GNAO1 P09471 6/20 0.46
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
SQOR Q9Y6N5 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8161678 1.00 NAAA (1.00) NAAAFAAHL3MBTL1MEN1KMT2A
SCHEMBL8156484 1.00 NAAA (1.00) NAAAFAAHL3MBTL1MEN1KMT2A
SCHEMBL8156721 1.00 NAAA (1.00) NAAAFAAHL3MBTL1MEN1KMT2A
SCHEMBL11191345 0.91 NAAA (0.83) NAAAFAAHTDP1HSD17B10GAA
SCHEMBL11370007 0.88 NAAA (0.77) NAAAFAAHTDP1HSD17B10GAA
SCHEMBL3392525 0.86 NAAA (0.74) NAAAFAAHMEN1KMT2ATDP1
SCHEMBL11197177 0.81 NAAA (0.68) NAAAFAAHHSD17B10GAA
SCHEMBL24839166 0.80 NAAA (0.65) NAAAFAAHL3MBTL1MEN1KMT2A
SCHEMBL11372041 0.78 FAAH (0.64) NAAAFAAHTDP1HSD17B10GAA
SCHEMBL11059060 0.77 NAAA (0.62) NAAAFAAHTDP1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 NAAA 2/4885FAAH 1/4885L3MBTL1 4849/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 NAAA 557/4885FAAH 934/4885L3MBTL1 4647/4885

“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.