SCHEMBL4837352

SCHEMBL4837352

C[C@@H](N)c1cc(Br)cc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
TACR1 P25103 2/20 0.34
MAOA P21397 2/20 0.31
PDE2A O00408 1/20 0.31
HIF1A Q16665 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2C P28335 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
SCHEMBL4826929 1.00 ADRB2 (0.39) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL4826922 1.00 ADRB2 (0.39) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL1001924 0.84 ADRB2 (0.46) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL20145485 0.84 GBA1 (0.36) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL31001196 0.84 ADRB2 (0.46) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL1006029 0.84 GBA1 (0.36) ADRB2GABRA1GABRB1IDO1TDO2
Hydrochloric Acid SCHEMBL31226763 0.82 IDO1 (0.39) ADRB2GABRA1GABRB1IDO1TDO2
SCHEMBL3689883 0.80 IDO1 (0.48) ADRB2IDO1TDO2MAOAHTR2A
SCHEMBL14014456 0.80 IDO1 (0.48) ADRB2IDO1TDO2MAOAHTR2A
SCHEMBL749481 0.80 IDO1 (0.48) ADRB2IDO1TDO2MAOAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178004-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-08-29 WO disclosed
US-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 ADRB2 9/4885GABRA1 791/4885GABRB1 768/4885

“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.