SCHEMBL6416993

SCHEMBL6416993

COCCOc1ccc(Br)c(CC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.48
HTR1A P08908 3/20 0.47
SLC6A4 P31645 3/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL6416990 0.85 IDO1 (0.43) GPR119HTR1ASLC6A4CYP2D6KDM4E
SCHEMBL5204514 0.83 HTR1A (0.55) HTR1ASLC6A4TGFBR1ALDH1A1
SCHEMBL6411744 0.82 SLC2A1 (0.49) GPR119HTR1ASLC6A4KDM4EPKM
SCHEMBL6411383 0.81 HTR1A (0.50) GPR119HTR1ASLC6A4CYP2D6
SCHEMBL6412168 0.80 HTR1A (0.51) HTR1ASLC6A4CYP2D6
SCHEMBL15684511 0.79 KDM4E (0.51) GPR119KDM4EPKMIDO1TDO2
SCHEMBL6412842 0.79 HTR1A (0.50) HTR1ASLC6A4CYP2D6USP30
SCHEMBL6411103 0.79 HTR1A (0.50) HTR1ASLC6A4CYP2D6USP30
SCHEMBL6411678 0.78 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6412710 0.78 HTR1A (0.50) HTR1ASLC6A4TGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 GPR119 279/4885HTR1A 1/4885SLC6A4 2/4885

“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.