SCHEMBL13380751

SCHEMBL13380751

CCN1CCN(CC)CCN(C(C)c2ccc(C(C)=O)cc2)CCN(CC)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
MC4R P32245 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP2D6 P10635 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL29085396 0.82 OPRD1 (0.48) HDAC4HDAC1MC4RMAPTKMT2A
SCHEMBL14924035 0.80 CYP2D6 (0.52) HDAC4HDAC1MC4RMAPTCHRM2
SCHEMBL14924473 0.79 ALDH1A1 (0.53) MC4RMAPTKMT2AMEN1CHRM2
SCHEMBL18403967 0.79 ALDH1A1 (0.53) MC4RMAPTKMT2AMEN1CHRM2
SCHEMBL13380744 0.79 MAPT (0.41) ATMHDAC4HDAC1MAPTKMT2A
SCHEMBL1013432 0.78 ALDH1A1 (0.50) ATMMAPTALDH1A1OPRD1KDM4E
SCHEMBL19251271 0.78 CYP2D6 (0.48) ATMHDAC4HDAC1MC4RCHRM2
SCHEMBL18403964 0.78 GAA (0.54) HDAC4HDAC1MC4RMAPTKMT2A
SCHEMBL10112423 0.78 CYP2D6 (0.50) HDAC4HDAC1MC4RKMT2AMEN1
SCHEMBL20012737 0.77 CYP2D6 (0.74) HDAC4HDAC1MC4RKMT2AMEN1

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-20100081799-A1 Chelating Agent TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2010-04-01 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-20100081799-A1 Chelating Agent HRH3, C3AR1, H1-3 ATM 4530/4885HDAC4 1700/4885HDAC1 266/4885

“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.