SCHEMBL3276484

SCHEMBL3276484

Brc1cccc2c1CN(Cc1ccccc1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2A13 Q16696 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
PNMT P11086 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
ACHE P22303 1/20 0.39
CLPP Q16740 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL6436620 0.78 CYP2D6 (0.51) CYP2D6SIGMAR1CYP1A2HTR1ADRD4
SCHEMBL3277734 0.78 CYP1A2 (0.49) SIGMAR1CYP1A2DRD4
SCHEMBL5690417 0.75 PNMT (0.61) SIGMAR1PNMTMEN1KMT2AACHE
SCHEMBL3276601 0.75 CLPP (0.42) CYP2D6CYP2A13SIGMAR1PNMTCYP1A2
SCHEMBL28466622 0.74 AHR (0.41) KMT2AALDH1A1HPGD
SCHEMBL3277742 0.74 CYP2D6 (0.48) CYP2D6SIGMAR1PNMTMEN1KMT2A
SCHEMBL3276408 0.74 CYP2D6 (0.51) CYP2D6SIGMAR1MEN1KMT2ACYP1A2
SCHEMBL629986 0.73 SIGMAR1 (0.46) SIGMAR1PNMTLMNACYP1A2HTR1A
SCHEMBL18733859 0.73 SMN1; SMN2 (0.51) CYP2D6MEN1KMT2AHTR1ADRD2
SCHEMBL29644344 0.72 ACACB (0.59) SIGMAR1PNMTMEN1KMT2AACHE

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 CYP2D6 549/4885CYP2A13 264/4885SIGMAR1 809/4885

“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.