SCHEMBL8267463

SCHEMBL8267463

CC(C)N(C)C[C@H](N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
SLC6A2 P23975 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
TAAR1 Q96RJ0 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
MAOA P21397 2/20 0.53
CYP2A6 P11509 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
OPRK1 P41145 5/20 0.51
OPRD1 P41143 3/20 0.51
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ADRA1A P35348 2/20 0.50
HTR2A P28223 1/20 0.50
KCNH2 Q12809 1/20 0.50
ANPEP P15144 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAOB P27338 2/20 0.45

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
SCHEMBL172932 0.82 EPHX1 (0.64) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL172909 0.82 EPHX1 (0.64) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL447982 0.82 EPHX1 (0.64) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
Hydrochloric Acid SCHEMBL5640811 0.81 EPHX1 (0.61) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
Lithium Ion SCHEMBL29696027 0.79 EPHX1 (0.59) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL28278078 0.79 EPHX1 (0.46) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL9393441 0.78 EPHX1 (0.70) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL11116432 0.78 EPHX1 (0.57) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL4582705 0.76 MEN1 (0.53) EPHX1SLC6A2SIGMAR1TAAR1SLC6A4
SCHEMBL3508823 0.75 HPGD (0.57) EPHX1OPRK1OPRD1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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 (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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF EPHX1 2453/4885SLC6A2 2156/4885SIGMAR1 4070/4885

“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.