SCHEMBL640303

SCHEMBL640303

CCOC(=O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM1A O60341 1/20 0.52
HDAC1 Q13547 1/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL641681 0.86 SCN10A (0.63) MAOBCYP2C9CYP2C19SCN10ACYP11B1
SCHEMBL640445 0.85 CYP11B1 (0.58) KDM1AHDAC1MAPTKDM4ESCN10A
SCHEMBL640338 0.83 CYP2C9 (0.59) MAOBCYP2C9CYP2C19HDAC1MAPT
SCHEMBL28836208 0.83 CYP2C19 (0.62) MAOBCYP2C9CYP2C19MAPTMEN1
SCHEMBL29937267 0.83 CYP2C19 (0.62) MAOBCYP2C9CYP2C19MAPTMEN1
SCHEMBL2294507 0.83 MAPT (0.57) CYP2C9CYP2C19MAPTMEN1KMT2A
SCHEMBL8622944 0.82 CYP2C19 (0.57) CYP2C9CYP2C19MAPTMEN1KMT2A
SCHEMBL4908272 0.82 LMNA (0.59) CYP2C9CYP2C19MAPTMEN1KMT2A
SCHEMBL5372083 0.82 CYP2C9 (0.65) CYP2C9CYP2C19MAPTMEN1KMT2A
SCHEMBL640295 0.81 CYP11B1 (0.60) MAOBCYP2C9CYP2C19KDM1AHDAC1

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 8 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-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
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 MAOB 1129/4885CYP2C9 1281/4885CYP2C19 618/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 MAOB 1129/4885CYP2C9 1281/4885CYP2C19 618/4885

“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.