SCHEMBL1105737

SCHEMBL1105737

COC(=O)c1ccc(OC(=O)N2CCC(c3ccc(F)cc3)C(CO)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
EPHX2 P34913 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL1096860 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL6652430 0.86 ALOX15 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6653645 0.86 ALOX15 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7025914 0.86 ALOX15 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8150677 0.86 PDE4B (0.49) ALDH1A1SMN1; SMN2MAPTGAASLC6A3
SCHEMBL1097624 0.84 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL27725167 0.81 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25273138 0.81 L3MBTL1 (0.43) KMT2AALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL13709019 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTGAASLC6A3
SCHEMBL1095395 0.80 CASR (0.39) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 KMT2A 2134/4885MEN1 4104/4885ALDH1A1 1644/4885

“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.