SCHEMBL641919

SCHEMBL641919

CCOC(=O)C1CC(c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
PDE4B Q07343 2/20 0.43
STS P08842 1/20 0.43
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL640822 0.87 ALDH1A1 (0.49) ALDH1A1GAAPOLBNPC1RAB9A
SCHEMBL16874715 0.83 ALDH1A1 (0.55) ALDH1A1LMNAPDE4BSTSMMP1
SCHEMBL640464 0.82 KMT2A (0.58) ALDH1A1GAAPOLBNPC1RAB9A
SCHEMBL23060467 0.81 PDE4B (0.59) ALDH1A1SMN1; SMN2PDE4BSTSMMP1
SCHEMBL23060498 0.81 PDE4B (0.59) ALDH1A1SMN1; SMN2PDE4BSTSMMP1
SCHEMBL30456434 0.81 PDE4B (0.59) ALDH1A1SMN1; SMN2PDE4BSTSMMP1
SCHEMBL23060617 0.81 PDE4B (0.59) ALDH1A1SMN1; SMN2PDE4BSTSMMP1
SCHEMBL6067853 0.81 NR1H2 (0.51) ALDH1A1SMN1; SMN2HPGDKMT2ATSHR
SCHEMBL18618377 0.80 PDE4B (0.47) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL18618372 0.80 PDE4B (0.47) ALDH1A1GAANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (2 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 ALDH1A1 609/4885GAA 634/4885POLB 1108/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 ALDH1A1 609/4885GAA 634/4885POLB 1108/4885

“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.