SCHEMBL12142175

SCHEMBL12142175

CC(C)(C)C1CCN(Cc2cccc(Cl)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.46
▸ KCNH2 Q12809 3/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PGGT1B P53609 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
SCHEMBL22623893 0.86 HDAC1 (0.44) CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL12143430 0.80 MAPT (0.55) MAPTCYP2C9CYP2C19SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL7936816 0.78 MAPT (0.56) MAPTCYP2C9CYP2C19SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL7935965 0.78 MAPT (0.56) MAPTCYP2C9CYP2C19SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL7939435 0.78 MAPT (0.56) MAPTCYP2C9CYP2C19SIGMAR1KCNH2
SCHEMBL12142180 0.78 DRD4 (0.43) SIGMAR1
SCHEMBL31512192 0.76 NPY1R (0.40) SIGMAR1L3MBTL1
SCHEMBL14177626 0.75 MAPT (0.51) MAPTCYP2C9CYP2C19SIGMAR1KCNH2
SCHEMBL12142178 0.74 DPP4 (0.40) P2RX7KDM4EALDH1A1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL12494085 0.73 MAPT (0.52) MAPTCYP2C9CYP2C19SIGMAR1KCNH2

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 6 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-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
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 MAPT 2278/4885CYP2C9 83/4885CYP2C19 32/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S MAPT 2278/4885CYP2C9 83/4885CYP2C19 32/4885

“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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