SCHEMBL13545488

SCHEMBL13545488

CNc1ccc2c(c1)NC(=O)C(N(C)CCN(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
CHEK1 O14757 1/20 0.30
PARP1 P09874 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL13545301 0.89 TRPV1 (0.51) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL13545300 0.89 TRPV1 (0.42) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL13383402 0.87 TRPV1 (0.54) TRPV1
SCHEMBL13545280 0.84 TRPV1 (0.36) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL3588363 0.82 TRPV1 (0.36) TRPV1DDB1CRBNCHEK1PARP1
SCHEMBL3588367 0.82 CA9 (0.41) TRPV1MAPTDDB1CRBNCHEK1
SCHEMBL13545283 0.81 ALDH1A1 (0.37) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL13545282 0.79 TRPV1 (0.45) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL13382932 0.78 TRPV1 (0.34) TRPV1ALDH1A1MAPTRAB9AGFER
SCHEMBL13382926 0.77 S1PR1 (0.35) TRPV1RAB9ADDB1CRBNPARP1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
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 1904/4885MAPT 4758/4885

“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.