SCHEMBL6542154

SCHEMBL6542154

ClCOCCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
HTR2A P28223 1/20 0.46
IDO1 P14902 2/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP2A6 P11509 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL2515837 0.86 TAAR1 (0.54) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL7007233 0.80 TAAR1 (0.48) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL11108664 0.78 TAAR1 (0.47) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL6542140 0.78 TAAR1 (0.46) TAAR1IDO1MAOB
SCHEMBL10500468 0.77 CA1 (0.45) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL16898703 0.77 TAAR1 (0.61) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL8417751 0.77 TAAR1 (0.45) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL1680408 0.77 TAAR1 (0.45) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL4670222 0.77 MEN1 (0.46) TAAR1HTR2AIDO1MAOAMAOB
SCHEMBL6541809 0.75 TAAR1 (0.53) TAAR1IDO1MAOB

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
EP-1052982-A4 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists SCHAUS JOHN M (US) 2002-05-30 US disclosed
US-6355674-B1 PSYCHOLOGICAL DISORDERS; ANTISEROTONINE AGENTS ELI LILLY AND COMPANY 2002-03-12 US disclosed
EP-1052982-A1 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS ELI LILLY AND COMPANY (US) 2000-11-22 EP disclosed
WO-1998048786-A1 AMINOTETRALINS AS 5-HT1Dα AGONISTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists HTR1D, HTR1A, HTR1E TAAR1 39/4885HTR2A 11/4885IDO1 180/4885

“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.