SCHEMBL13545552

SCHEMBL13545552

CNc1ccc2c(c1)NC(=O)C(N1CCCC1CO)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
GAA P10253 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 3/20 0.35
CHEK1 O14757 1/20 0.35
MAP2K1 Q02750 1/20 0.35
TSHR P16473 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL13545284 1.00 TRPV1 (0.37) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13545546 0.88 HSD17B10 (0.38) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13545285 0.88 HSD17B10 (0.38) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3601732 0.84 ALDH1A1 (0.36) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3601734 0.84 CA9 (0.37) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL13545281 0.78 TRPV1 (0.46) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13545299 0.78 TRPV1 (0.46) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13382906 0.77 TRPV1 (0.45) TRPV1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3601351 0.77 KMT2A (0.37) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL3601354 0.77 KMT2A (0.37) ALDH1A1KDM4EMAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885ALDH1A1 1904/4885KDM4E 2284/4885

“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.