SCHEMBL3463138

SCHEMBL3463138

CCOc1c[c]ccc1OC(C)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
CHEK2 O96017 1/20 0.31
MARK3 P27448 1/20 0.31
PRKCD Q05655 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3463523 0.81 ADRA2A (0.33) ADRA2AADRA2BADRA2CTSHRLMNA
SCHEMBL3086892 0.78 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL127280 0.77 ALDH1A1 (0.39) TSHRCYP2D6CYP2C19SMN1; SMN2
SCHEMBL3132186 0.76 MEN1 (0.35) ADRA2AADRA2BADRA2CTSHRCYP2D6
SCHEMBL17710579 0.74 MCHR1 (0.37)
SCHEMBL3463971 0.74 HTR7 (0.42) SMN1; SMN2
SCHEMBL10492299 0.74 HTT (0.38) CYP2D6CYP2C19HTTSMN1; SMN2
SCHEMBL159256 0.72 KDM4E (0.42) TSHRSMN1; SMN2
SCHEMBL10757130 0.71 MCHR1 (0.40)
SCHEMBL16952206 0.71 ALDH1A1 (0.34) TSHRCYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US claimed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US claimed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP claimed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 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 (2 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ADRA2A 668/4885ADRA2B 288/4885ADRA2C 690/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ADRA2A 668/4885ADRA2B 288/4885ADRA2C 690/4885

“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.