SCHEMBL4698160

SCHEMBL4698160

O=C(O)[C@H](Cc1ccccc1)NN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MME P08473 1/20 0.49
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FPR2 P25090 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL4698163 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL7406800 0.98 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL7406797 0.98 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL25386615 0.93 POLB (0.56) ALDH1A1HSD17B10POLBKMT2AMME
SCHEMBL7299545 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL4529791 0.84 POLB (0.49) ALDH1A1HSD17B10POLBKMT2AMME
SCHEMBL4529797 0.84 POLB (0.49) ALDH1A1HSD17B10POLBKMT2AMME
SCHEMBL6753269 0.84 KMT2A (0.55) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL6753268 0.84 KMT2A (0.55) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL6622791 0.84 ATM (0.44) ALDH1A1HSD17B10POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R ALDH1A1 423/4885HSD17B10 2357/4885POLB 1584/4885

“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.