SCHEMBL6541809

SCHEMBL6541809

COc1ccc(CCOCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
AOC3 Q16853 2/20 0.52
MAOB P27338 2/20 0.48
CALM1 P0DP23 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2RL1 P55085 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL2846166 0.87 TAAR1 (0.61) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL10793001 0.82 TAAR1 (0.55) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL9021185 0.80 TAAR1 (0.53) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL27756949 0.80 TAAR1 (0.53) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL17230504 0.80 TAAR1 (0.53) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL2624069 0.79 IDO1 (0.57) TAAR1MAOBCALM1IDO1TDP1
SCHEMBL365644 0.79 TAAR1 (0.61) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL792026 0.79 TAAR1 (0.61) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL3163847 0.78 TAAR1 (0.52) TAAR1AOC3MAOBCALM1SIGMAR1
SCHEMBL4027553 0.78 TAAR1 (0.52) TAAR1AOC3MAOBCALM1SIGMAR1

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 39/4885AOC3 1121/4885MAOB 218/4885

“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.