SCHEMBL3244337

SCHEMBL3244337

O=C1CSc2ccc(CNC3(C(F)(F)F)CCNCC3)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KIF11 P52732 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.36
EPHX2 P34913 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL3247575 0.79 POLB (0.42) ATMPOLBGFERHTTALDH1A1
SCHEMBL3247665 0.72 ATM (0.41) ATMPOLBGFERHTTALDH1A1
SCHEMBL6650739 0.72 ATM (0.41) ATMPOLBGFERHTTALDH1A1
SCHEMBL25105345 0.70 TACR1 (0.42) ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL13356494 0.70 HTT (0.55) ATMPOLBGFERHTTALDH1A1
SCHEMBL2924903 0.70 HTT (0.59) ATMPOLBGFERHTTALDH1A1
SCHEMBL10066495 0.70 ALDH1A1 (0.57) ATMPOLBGFERHTTALDH1A1
SCHEMBL5256409 0.70 POLB (0.44) ATMPOLBGFERHTTALDH1A1
SCHEMBL3247144 0.70 ATM (0.42) ATMPOLBGFERHTTALDH1A1
SCHEMBL5256413 0.70 POLB (0.44) ATMPOLBGFERHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 US disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO 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-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS ATM 1058/4885POLB 618/4885GFER 3678/4885

“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.