SCHEMBL6163112

SCHEMBL6163112

N#Cc1ccc(-c2ccccc2CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
CYP11B2 P19099 4/20 0.41
TSHR P16473 1/20 0.41
MMP3 P08254 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAOB P27338 3/20 0.39
DPP4 P27487 1/20 0.38
ESR2 Q92731 1/20 0.38
AR P10275 1/20 0.38
MAOA P21397 1/20 0.37
PDK2 Q15119 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
IDO1 P14902 1/20 0.37
CYP19A1 P11511 1/20 0.37
SLC6A4 P31645 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
SCHEMBL9456872 0.84 DPP4 (0.50) CYP11B2TSHRMAOBDPP4PDK2
SCHEMBL6162265 0.83 MMP3 (0.45) ADRA2CCYP11B2TSHRMMP3PTGDR2
SCHEMBL31179899 0.82 DPP4 (0.48) CYP11B2TSHRMAOBDPP4PDK2
SCHEMBL8472098 0.81 CYP2A6 (0.48) ADRA2CCYP11B2TSHRPTGDR2MAOB
SCHEMBL4935794 0.81 ADRA2C (0.44) ADRA2CCYP11B2TSHRMMP3PTGDR2
SCHEMBL6165065 0.81 DPP4 (0.62) ADRA2CCYP11B2TSHRMMP3PTGDR2
SCHEMBL6165241 0.81 ADRA2C (0.68) ADRA2CTSHRPTGDR2MAOBPDK2
Water SCHEMBL10404160 0.80 DPP4 (0.58) CYP11B2TSHRDPP4CA12CA2
SCHEMBL31463164 0.80 TSHR (0.57) CYP11B2TSHRMMP3MAOBESR2
SCHEMBL28848262 0.79 ADRA2C (0.49) ADRA2CCYP11B2TSHRMMP3PTGDR2

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI ADRA2C 1810/4885CYP11B2 617/4885TSHR 1192/4885

“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.