SCHEMBL3246609

SCHEMBL3246609

O=[C]N(CCc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
AOC3 Q16853 2/20 0.41
MLYCD O95822 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES1 P23141 4/20 0.38
FAAH O00519 3/20 0.38
ALOX5 P09917 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FDPS P14324 1/20 0.36

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
SCHEMBL40648 0.82 ALDH1A1 (0.42) AOC3NPC1RAB9ATDP1CES1
SCHEMBL3240867 0.75 TAAR1 (0.48) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL2087539 0.74 TAAR1 (0.52) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL5409509 0.74 TAAR1 (0.52) TAAR1AOC3MLYCDMEN1NPC1
Iodide SCHEMBL31550892 0.72 TAAR1 (0.50) TAAR1AOC3MLYCDMEN1NPC1
Bromide SCHEMBL29093974 0.72 TAAR1 (0.50) TAAR1AOC3MLYCDMEN1NPC1
Hydrochloric Acid SCHEMBL5408807 0.72 TAAR1 (0.50) TAAR1AOC3MLYCDMEN1NPC1
SCHEMBL29029103 0.71 TAAR1 (0.48) TAAR1AOC3MLYCDMEN1NPC1
SCHEMBL5449888 0.71 ALOX5 (0.49) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL10501436 0.71 AOC3 (0.55) TAAR1AOC3MEN1NPC1RAB9A

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
CN-103450138-B Preparation of intermidiates of 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC 2015-04-08 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TAAR1 436/4885AOC3 662/4885MLYCD 1649/4885

“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.