SCHEMBL345002

SCHEMBL345002

CC(C)OC(=O)COc1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
CYP3A4 P08684 3/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12879316 0.83 GAA (0.62) MAPTTDP1GAAALDH1A1
SCHEMBL217079 0.83 CYP3A4 (0.56) CYP3A4TP53TSHRMAOBGAA
SCHEMBL3312611 0.82 MAPT (0.54) MAPTTP53TDP1TSHRPSEN1
SCHEMBL8770574 0.81 MAPT (0.67) MAPTTP53TDP1TSHRPSEN1
SCHEMBL272026 0.80 MAPT (0.81) MAPTTSHRPSEN1PSEN2APH1B
SCHEMBL655678 0.80 TP53 (0.62) MAPTCYP3A4TP53TSHRMAOB
SCHEMBL29577774 0.80 TP53 (0.62) MAPTCYP3A4TP53TSHRMAOB
SCHEMBL20685285 0.80 MAPT (0.57) MAPTTP53TDP1TSHRPSEN1
SCHEMBL1949826 0.79 MAPT (0.54) MAPTTP53TDP1PSEN1PSEN2
SCHEMBL10753958 0.79 CYP3A4 (0.59) CYP3A4TP53TSHRMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-9388153-B2 Secondary amines as therapeutic agents ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-9388153-B2 Secondary amines as therapeutic agents ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-9388153-B2 Secondary amines as therapeutic agents ALLERGAN, INC. (US) 2016-07-12 US disclosed
WO-2015094864-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2015-06-25 WO disclosed
WO-2015094864-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2015-06-25 WO disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-20150175567-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2015-06-25 US disclosed
US-20150175567-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2015-06-25 US disclosed
US-20150175567-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (5 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-20150175567-A1 SECONDARY AMINES AS THERAPEUTIC AGENTS PDE6G, PDE3A, TYR MAPT 227/4885CYP3A4 1809/4885TP53 1636/4885
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPT 3262/4885CYP3A4 3609/4885TP53 4243/4885
US-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 MAPT 3517/4885CYP3A4 44/4885TP53 882/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPT 3262/4885CYP3A4 3609/4885TP53 4243/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPT 3262/4885CYP3A4 3609/4885TP53 4243/4885

“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.