SCHEMBL3243405

SCHEMBL3243405

ClC([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
IDO2 Q6ZQW0 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9804450 0.77 ALDH1A1 (0.43) TSHRCYP1A2ALDH1A1DPP4F2
SCHEMBL1225973 0.76 CYP1A2 (0.52) TSHRCYP1A2ALDH1A1MAOBLMNA
SCHEMBL8056062 0.75 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1MAOBLMNA
SCHEMBL7366231 0.74 ALDH1A1 (0.39) TSHRCYP1A2ALDH1A1DPP4F2
SCHEMBL16924897 0.74 TSHR (0.52) TSHRDPP4F2LMNAHTR2A
Styrene SCHEMBL3265479 0.73 ALDH1A1 (0.58) TSHRCYP1A2ALDH1A1DPP4L3MBTL1
SCHEMBL23531633 0.72 TSHR (0.50) TSHRALDH1A1DPP4F2CYP2A6
SCHEMBL109223 0.72 TSHR (0.50) TSHRALDH1A1DPP4F2LMNA
SCHEMBL3336700 0.72 HTR2A (0.39) TSHRALDH1A1MAOBCYP2A6L3MBTL1
SCHEMBL948001 0.72 TSHR (0.50) TSHRALDH1A1DPP4F2CYP2A6

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 TSHR 2306/4885CYP1A2 1561/4885ALDH1A1 874/4885

“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.