SCHEMBL3740709

SCHEMBL3740709

FC(F)(F)c1ccc(CCBr)cc1.[MgH2]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
MAOB P27338 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MIF P14174 1/20 0.48
PTPN1 P18031 1/20 0.48
GSK3B P49841 1/20 0.48
IDO1 P14902 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DAO P14920 4/20 0.42

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
SCHEMBL177739 0.98 TAAR1 (0.61) TAAR1MAOBMEN1KMT2AMIF
Bromide SCHEMBL28679828 0.95 TAAR1 (0.59) TAAR1MAOBMEN1KMT2AMIF
SCHEMBL5511977 0.91 MAOB (0.63) TAAR1MAOBMEN1KMT2AMIF
Fluorobenzene SCHEMBL27753953 0.85 TDP1 (0.52) TAAR1MAOBMEN1KMT2AMIF
SCHEMBL79100 0.84 TAAR1 (0.57) TAAR1MAOBMIFPTPN1GSK3B
Toluene SCHEMBL28782454 0.83 TDP1 (0.50) TAAR1MAOBMEN1KMT2AMIF
SCHEMBL934227 0.83 TAAR1 (0.73) TAAR1MAOBMIFIDO1HDAC1
SCHEMBL5781780 0.83 TAAR1 (0.55) TAAR1MAOBMIFPTPN1GSK3B
SCHEMBL11395535 0.81 TAAR1 (0.53) TAAR1MAOBMIFPTPN1GSK3B
SCHEMBL3484834 0.81 TAAR1 (0.53) TAAR1MAOBMIFPTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583863-A Method for asymmetric allyl alkylation reaction 哈尔滨工业大学(深圳) 2023-01-10 CN claimed
CN-115583863-A Method for asymmetric allyl alkylation reaction 哈尔滨工业大学(深圳) 2023-01-10 CN disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 TAAR1 34/4885MAOB 716/4885MEN1 1772/4885

“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.