SCHEMBL3276410

SCHEMBL3276410

CCN(CC)c1ccc2c(c1)OCCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
S1PR1 P21453 2/20 0.36
TERT O14746 1/20 0.36
CYP19A1 P11511 1/20 0.35
S100B P04271 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35

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 SCHEMBL3275985 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL3275925 0.87 ADRA2A (0.36) S1PR1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL3280505 0.86 ADRA2A (0.35) ALDH1A1KDM4EMAPTHSD17B10HTT
Bromide SCHEMBL3276509 0.81 S1PR1 (0.35) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3280267 0.78 S1PR1 (0.40) S1PR1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL3276741 0.77 S1PR1 (0.39) S1PR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8600774 0.75 KDM4E (0.51) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL26963075 0.75 KDM4E (0.51) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL22131607 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10GAAS1PR1
SCHEMBL1886713 0.74 FABP6 (0.45) MAPTS1PR1ADRA2ACD274

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 ALDH1A1 324/4885KDM4E 985/4885MAPT 4237/4885

“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.