SCHEMBL3240867

SCHEMBL3240867

O=[C]N(F)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 4/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 1/20 0.39
KEAP1 Q14145 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL81123 0.78 ALDH1A1 (0.45) AOC3NPC1RAB9ATDP1ALDH1A1
SCHEMBL2087539 0.78 TAAR1 (0.52) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL10912771 0.76 TAAR1 (0.45) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL1300012 0.75 TAAR1 (0.59) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL5449888 0.75 ALOX5 (0.49) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL10501436 0.75 AOC3 (0.55) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL27954358 0.75 TAAR1 (0.48) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL1467598 0.75 TAAR1 (0.58) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL3246609 0.75 TAAR1 (0.44) TAAR1AOC3MEN1NPC1RAB9A
SCHEMBL28174514 0.73 TAAR1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 662/4885MEN1 300/4885

“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.