SCHEMBL2733659

SCHEMBL2733659

CC(C)(C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ KDM4E B2RXH2 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HSD11B1 P28845 4/20 0.54
▸ HSD11B2 P80365 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ SMO Q99835 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL117948 0.87 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19001112 0.86 OGA (0.54) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL234341 0.84 MAPT (0.62) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL8082196 0.84 SMN1; SMN2 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL27903439 0.83 HSD11B1 (0.65) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL13131034 0.82 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL23207522 0.82 KDM4E (0.62) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL233562 0.81 HSD11B1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL26851522 0.81 HSD11B1 (0.66) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL12631524 0.81 DHFR (0.48) MAPTALDH1A1KDM4EGAA

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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 (3 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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 MAPT 3255/4885ALDH1A1 1135/4885KDM4E 4460/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3612/4885ALDH1A1 680/4885KDM4E 258/4885
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B MAPT 3835/4885ALDH1A1 670/4885KDM4E 2230/4885

“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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