SCHEMBL3280267

SCHEMBL3280267

CC(C)N(C)c1ccc2c(c1)OCCNC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.40
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
S1PR3 Q99500 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
INSR P06213 1/20 0.31
ALK Q9UM73 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
OGA O60502 2/20 0.31
PNMT P11086 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
Hydrochloric Acid SCHEMBL3276741 0.99 S1PR1 (0.39) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3275925 0.80 ADRA2A (0.36) S1PR1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL3280505 0.79 ADRA2A (0.35) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3276410 0.78 ALDH1A1 (0.40) S1PR1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL3275985 0.77 ALDH1A1 (0.43) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL18090601 0.76 S1PR1 (0.45) S1PR1S1PR3CD274OGA
Bromide SCHEMBL3276509 0.75 S1PR1 (0.35) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL21600799 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL22131607 0.73 ALDH1A1 (0.50) S1PR1ADRA2AADRA2BADRA2CCD274
SCHEMBL18158216 0.71 EGFR (0.46) EGFRKDROGA

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 S1PR1 1885/4885ADRA2A 68/4885ADRA2B 56/4885

“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.