SCHEMBL3589036

SCHEMBL3589036

CCC1(CC)C/C(=C\C(=O)Nc2ccc3c(c2)N(CCO)C(=O)CO3)c2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
TRPV1 Q8NER1 11/20 0.42
POLB P06746 2/20 0.39
PIK3CG P48736 1/20 0.37
RAF1 P04049 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3596303 0.92 TP53 (0.43) MAPTTP53TRPV1POLBPIK3CG
SCHEMBL3597718 0.91 MAPT (0.45) MAPTTP53TRPV1POLBPIK3CG
SCHEMBL3597018 0.91 TRPV1 (0.48) MAPTTP53TRPV1
SCHEMBL3596991 0.88 TP53 (0.42) MAPTTP53TRPV1POLBPIK3CG
SCHEMBL3598046 0.86 TRPV1 (0.42) MAPTTP53TRPV1
SCHEMBL3605319 0.85 TRPV1 (0.41) MAPTTP53TRPV1
SCHEMBL3603402 0.85 TRPV1 (0.42) TRPV1
SCHEMBL3603405 0.85 TRPV1 (0.42) TRPV1
SCHEMBL1451210 0.83 TP53 (0.45) MAPTTP53TRPV1POLBPIK3CG
SCHEMBL3604996 0.82 TRPV1 (0.61) TRPV1

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-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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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 MAPT 4758/4885TP53 3619/4885TRPV1 2518/4885

“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.