SCHEMBL2407501

SCHEMBL2407501

CCO[C@H](C)COCc1ccc(Br)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
FOS P01100 1/20 0.34
TTR P02766 1/20 0.34
JUN P05412 1/20 0.34
NR3C1 P04150 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
HTR2A P28223 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL2407505 1.00 ALDH1A1 (0.38) ALDH1A1LMNATSHRHTTFOS
SCHEMBL2407919 0.89 KMT2A (0.33) ALDH1A1LMNATSHRHTTHTR2A
SCHEMBL2407915 0.89 KMT2A (0.33) ALDH1A1LMNATSHRHTTHTR2A
SCHEMBL2406887 0.86 SLC6A4 (0.46) ALDH1A1MAPT
SCHEMBL2406883 0.86 SLC6A4 (0.46) ALDH1A1MAPT
SCHEMBL2406541 0.82
SCHEMBL2406984 0.82
SCHEMBL2404171 0.82
SCHEMBL2404168 0.82
SCHEMBL2406019 0.81 LMNA (0.40) ALDH1A1LMNATSHRHTTFOS

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 ALDH1A1 368/4885LMNA 3156/4885TSHR 2279/4885

“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.