SCHEMBL2407919

SCHEMBL2407919

CCOc1cc(COCC(C)OCC)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 6/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CALM1 P0DP23 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A4 P31645 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL2407915 1.00 KMT2A (0.33) KMT2AMEN1PKMLMNAMAPT
SCHEMBL2407501 0.89 ALDH1A1 (0.38) LMNAMAPTTSHRHTTSMN1; SMN2
SCHEMBL2407505 0.89 ALDH1A1 (0.38) LMNAMAPTTSHRHTTSMN1; SMN2
SCHEMBL2406887 0.89 SLC6A4 (0.46) MAPTSLC6A4ALDH1A1
SCHEMBL2406883 0.89 SLC6A4 (0.46) MAPTSLC6A4ALDH1A1
SCHEMBL925432 0.84 SLC6A4 (0.33) SLC6A4
SCHEMBL925434 0.84 SLC6A4 (0.33) SLC6A4
SCHEMBL3719565 0.82 SLC6A4 (0.32) SLC6A4
SCHEMBL2404171 0.82
SCHEMBL2404168 0.82

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
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009053452-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-30 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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 KMT2A 3109/4885MEN1 3009/4885PKM 830/4885

“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.