SCHEMBL641471

SCHEMBL641471

CCOC(=O)C1CNCC(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HTR2C P28335 1/20 0.45
PKM P14618 1/20 0.43
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
EPHX2 P34913 4/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL640912 0.87 HTR2C (0.47) POLBHTR2CKDM1AEPHX2L3MBTL1
SCHEMBL642571 0.86 ATM (0.43) POLBHTR2CALDH1A1
SCHEMBL640932 0.85 GAA (0.46) POLBLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL641426 0.84 GAA (0.46) POLBPKMLMNAALDH1A1SMN1; SMN2
SCHEMBL641709 0.84 LMNA (0.45) POLBPKMLMNAALDH1A1L3MBTL1
SCHEMBL1580602 0.82 POLB (0.41) POLBHTR2CPKMPPARGPPARA
SCHEMBL22816987 0.82 POLB (0.60) POLBPKMLMNAKDM1ARCOR1
SCHEMBL640624 0.80 SMN1; SMN2 (0.43) PKMLMNAALDH1A1SMN1; SMN2
SCHEMBL12720192 0.77 HTR2C (0.42) HTR2CLMNAKDM1ARCOR1EPHX2
SCHEMBL642964 0.77 MEN1 (0.54) POLBLMNAEPHX2ALDH1A1L3MBTL1

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 11 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-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 POLB 1108/4885HTR2C 1327/4885PKM 1270/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 POLB 1108/4885HTR2C 1327/4885PKM 1270/4885

“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.