SCHEMBL3249480

SCHEMBL3249480

FC(F)(F)C([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
CYP1A2 P05177 1/20 0.33
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32
MAOB P27338 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10415149 0.76 HTR2A (0.36) HTR2ATAAR1ALDH1A1TSHRDPP4
SCHEMBL1225030 0.76 CYP2D6 (0.39) HTR2ATAAR1TSHRDPP4F2
SCHEMBL9341987 0.73 HTR2A (0.36) HTR2ANFE2L2ALDH1A1TSHRMAOB
SCHEMBL3647646 0.71 HTR2A (0.35) HTR2ANFE2L2ALDH1A1TSHRDPP4
SCHEMBL9217443 0.71 ALDH1A1 (0.39) CYP1A2NFE2L2ALDH1A1TSHRMAOB
SCHEMBL3245737 0.70 CYP1A2 (0.36) HTR2ATAAR1CYP1A2NFE2L2ALDH1A1
SCHEMBL7366231 0.69 ALDH1A1 (0.39) HTR2ATAAR1CYP1A2ALDH1A1TSHR
SCHEMBL9011584 0.67 KMT2A (0.36) ALDH1A1LMNA
SCHEMBL9011583 0.67 KMT2A (0.36) ALDH1A1LMNA
SCHEMBL9804450 0.67 ALDH1A1 (0.43) HTR2ATAAR1CYP1A2ALDH1A1TSHR

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 HTR2A 1158/4885TAAR1 436/4885IDO1 527/4885

“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.