SCHEMBL6163766

SCHEMBL6163766

N#Cc1ccc(COCc2ccccc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.57
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
PGGT1B P53609 4/20 0.47
TACR1 P25103 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MAOB P27338 1/20 0.41

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
SCHEMBL6165356 0.90 ADRA2C (0.58) ADRA2CFNTAFNTBPGGT1BTACR1
SCHEMBL6162276 0.87 TACR1 (0.47) FNTAFNTBPGGT1BTACR1MAOB
SCHEMBL6163151 0.86 ADRA2C (0.47) ADRA2CFNTAFNTBPGGT1BTACR1
SCHEMBL6166155 0.75 ADRA2C (0.68) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL28725605 0.75 ADRA2C (0.68) ADRA2CHCAR2GABRG2GABRB3GABRA5
SCHEMBL6167622 0.75 ADRA2C (0.77) ADRA2CHCAR2GABRG2GABRB3GABRA5
SCHEMBL10980808 0.75 ADRA2C (0.68) ADRA2CHCAR2GABRG2GABRB3GABRA5
SCHEMBL6165241 0.75 ADRA2C (0.68) ADRA2CHCAR2GABRG2GABRB3GABRA5
Water SCHEMBL9538330 0.74 TACR1 (0.62) TACR1
SCHEMBL7062567 0.74 MAOB (0.69) MAOB

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 1810/4885FNTA 654/4885FNTB 1197/4885

“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.