SCHEMBL6162276

SCHEMBL6162276

N#Cc1ccc(COCc2ccccc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
MAOB P27338 1/20 0.46
GHSR Q92847 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL6163766 0.87 ADRA2C (0.57) TACR1MAOBFNTAFNTBPGGT1B
SCHEMBL6163151 0.87 ADRA2C (0.47) TACR1MAOBFNTAFNTBPGGT1B
SCHEMBL17855825 0.81 MMP3 (0.56) MAOBGHSRNPC1RAB9ASMN1; SMN2
Water SCHEMBL9538330 0.80 TACR1 (0.62) TACR1L3MBTL1CHRNB2CHRNA4FFAR1
SCHEMBL7062567 0.79 MAOB (0.69) MAOBGHSRNPC1RAB9ASMN1; SMN2
SCHEMBL3401155 0.79 LOXL2 (0.56) MAOBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL16390993 0.78 TACR1 (0.64) TACR1L3MBTL1CHRNB2CHRNA4FFAR1
SCHEMBL10599800 0.78 TACR1 (0.64) TACR1L3MBTL1CHRNB2CHRNA4FFAR1
SCHEMBL1338113 0.77 TACR1 (0.48) TACR1CHRNB2CHRNA4FFAR1
SCHEMBL6165356 0.77 ADRA2C (0.58) TACR1FNTAFNTBPGGT1B

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 TACR1 2183/4885MAOB 254/4885GHSR 2241/4885

“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.