SCHEMBL12142176

SCHEMBL12142176

CC(C)(C)C1CCN(Cc2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TRPC5 Q9UL62 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ C5AR1 P21730 3/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL12143801 0.82 KDM4E (0.48) KDM4EALDH1A1POLBNPSR1KMT2A
SCHEMBL24719122 0.81 KMT2A (0.48) KDM4EALDH1A1POLBNPSR1KMT2A
SCHEMBL24719120 0.79 CA12 (0.45) KDM4EALDH1A1POLBNPSR1KMT2A
SCHEMBL22623893 0.77 HDAC1 (0.44) ALDH1A1POLBKMT2AMEN1CYP2D6
SCHEMBL16589760 0.75 NPSR1 (0.45) KDM4EALDH1A1POLBNPSR1KMT2A
SCHEMBL16466706 0.73 SIRT2 (0.47) KDM4EALDH1A1NPSR1KMT2ATRPC5
SCHEMBL24719056 0.71 TRPC5 (0.52) KDM4EALDH1A1POLBNPSR1KMT2A
SCHEMBL15199072 0.70 PER2 (0.35) KMT2AMEN1KCNH2
SCHEMBL24719135 0.70 HDAC11 (0.46) KDM4EALDH1A1NPSR1KMT2ATRPC5
SCHEMBL20034984 0.70 PIK3CD (0.34) 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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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 (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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S KDM4E 3037/4885ALDH1A1 134/4885POLB 2811/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S KDM4E 3037/4885ALDH1A1 134/4885POLB 2811/4885

“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.

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