SCHEMBL13955352

SCHEMBL13955352

BN[C@H]1CCCc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TAS1R2 Q8TE23 5/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13950518 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL13955293 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL3534298 0.81 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL13499143 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2560483 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL4337300 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL7478331 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL12932008 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1472540 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL13936482 0.74 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPTTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885KMT2A 2982/4885MEN1 4726/4885

“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.