SCHEMBL662478

SCHEMBL662478

CC(OCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 2/20 0.48
CHRM2 P08172 3/20 0.45
KCNH2 Q12809 3/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL18766166 0.83 KIF11 (0.64) KIF11SMN1; SMN2TAAR1KCNH2MAPK1
SCHEMBL10786977 0.83 CHRM2 (0.47) KIF11SMN1; SMN2TAAR1CHRM2KCNH2
SCHEMBL25018337 0.81 CHRM2 (0.46) KIF11SMN1; SMN2TAAR1CHRM2KCNH2
SCHEMBL7962792 0.79 CHRM2 (0.45) KIF11SMN1; SMN2TAAR1CHRM2KCNH2
SCHEMBL663137 0.79 CHRM2 (0.45) KIF11SMN1; SMN2TAAR1CHRM2KCNH2
SCHEMBL2492363 0.78 KIF11 (1.00) KIF11SMN1; SMN2TAAR1MAPK1CYP3A4
Moxastine SCHEMBL29281 0.76 CHRM2 (0.71) SMN1; SMN2CHRM2KCNH2HTR1AADRA2A
SCHEMBL661183 0.76 MAPK1 (0.46) KIF11TAAR1CHRM2KCNH2HTR1A
SCHEMBL8426498 0.75 MAPK1 (0.50) KIF11SMN1; SMN2TAAR1CHRM2MAPK1
SCHEMBL19912057 0.75 CHRM2 (0.42) KIF11SMN1; SMN2TAAR1CHRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351730-B1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF SHANGHAI ECUST BIOMEDICINE CO LTD (CN) 2014-07-30 EP disclosed
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof Zhejiang Wild Wind Pharmaceutical Co., Ltd. (CN) 2012-02-23 US disclosed
EP-2351730-A1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF Shanghai Ecust Biomedicine Co., Ltd (CN) 2011-08-03 EP 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-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof TUBB1, TUBB, TUBB3 KIF11 1226/4885SMN1; SMN2 4580/4885TAAR1 1915/4885

“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.