SCHEMBL4080429

SCHEMBL4080429

COC(=O)c1cccc(OCCNNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 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
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL29410763 0.88 CA12 (0.53) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL613545 0.88 CA12 (0.53) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8457822 0.87 CA12 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4082188 0.85 MAPT (0.59) RAB9AMAPTKMT2AKDM4EL3MBTL1
SCHEMBL15360324 0.84 BCHE (0.51) ALDH1A1RAB9AMAPTMTNR1AMTNR1B
SCHEMBL6435296 0.81 CA12 (0.49) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL322015 0.80 ALDH1A1 (0.50) MRGPRX4CYSLTR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4077390 0.80 KDM4E (0.41) ALDH1A1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL15110547 0.79 ALDH1A1 (0.55) MRGPRX4CYSLTR1ALDH1A1CYP1A2CYP3A4
SCHEMBL15110899 0.79 ALDH1A1 (0.46) MRGPRX4CYSLTR1ALDH1A1CYP1A2CYP3A4

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
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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 (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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 MRGPRX4 1905/4885CYSLTR1 204/4885ALDH1A1 1638/4885

“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.