SCHEMBL3283453

SCHEMBL3283453

Fc1ccc2c(c1C1CC1)OCCN(Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 3/20 0.40
DRD4 P21917 3/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2C P18825 1/20 0.39
PTGER2 P43116 3/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
FAAH O00519 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3275604 0.81 CYP1A2 (0.49) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL3276248 0.77 CYP1A2 (0.43) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL3277734 0.72 CYP1A2 (0.49) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL3276601 0.72 CLPP (0.42) CYP1A2SIGMAR1PTGER2ACHE
SCHEMBL2110623 0.70 CYP1A2 (0.47) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL6436620 0.69 CYP2D6 (0.51) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL28305302 0.69 KDM4E (0.58) SIGMAR1DRD4KDM4EGAAACHE
SCHEMBL2110909 0.68 KMT2A (0.43) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL3277742 0.66 CYP2D6 (0.48) CYP1A2SIGMAR1TMEM97DRD4ADRA2A
SCHEMBL2110977 0.66 CYP1A2 (0.45) CYP1A2SIGMAR1TMEM97DRD4ADRA2A

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-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B CYP1A2 156/4885SIGMAR1 809/4885TMEM97 890/4885

“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.