SCHEMBL6911481

SCHEMBL6911481

CCCCOc1ccc(F)cc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
FAAH O00519 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTR2A P28223 3/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
AR P10275 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL17378907 0.88 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9FAAHALDH1A1
SCHEMBL11919293 0.82 L3MBTL1 (0.45) CYP1A2CYP2C19CYP2C9FAAHHPGD
SCHEMBL16307111 0.82 LMNA (0.53) ALDH1A1HPGDSMN1; SMN2
SCHEMBL10634246 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL2990425 0.80 SLC6A4 (0.43) ALDH1A1HPGDHTR2ASLC6A4
SCHEMBL2116744 0.80 SLC6A4 (0.36) ALDH1A1HPGDHTR2ASLC6A4KCNH2
SCHEMBL18255266 0.80 FAAH (0.46) CYP1A2CYP2C19CYP2C9FAAHPPARG
SCHEMBL18255267 0.80 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9FAAHALDH1A1
SCHEMBL799826 0.79 MAPT (0.43) ALDH1A1HPGDPPARGPPARDPPARA
SCHEMBL12239457 0.78 ALDH1A1 (0.56) ALDH1A1HPGDAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 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 (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-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 CYP1A2 1569/4885CYP2C19 3527/4885CYP2C9 3444/4885

“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.