SCHEMBL3879540

SCHEMBL3879540

Cc1c(O)cccc1NC(C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
IDO1 P14902 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32

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
SCHEMBL3879398 0.79 TRPA1 (0.45) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL3879535 0.75 TRPA1 (0.41) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL3879342 0.74 KDM4E (0.45) TRPA1ATMMAPTHSD17B10GAA
SCHEMBL24746516 0.72 INPPL1 (0.42) MAPTHSD17B10GAAMAPK1HTT
SCHEMBL7938078 0.72 TRPA1 (0.54) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL5809535 0.71 TRPA1 (0.41) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL8310698 0.70 TRPA1 (0.52) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL11406396 0.70 TRPA1 (0.52) TRPA1ATMMAPTTP53HSD17B10
SCHEMBL7906174 0.69 MDM4 (0.44) TP53ALDH1A1KDM4ETDP1
SCHEMBL9706115 0.68 MAPT (0.41) MAPTTP53HSD17B10GAAMAPK1

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-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 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-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP TRPA1 2720/4885ATM 2544/4885MAPT 2069/4885

“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.