SCHEMBL6163611

SCHEMBL6163611

N#Cc1cccc(C(=O)NCc2ccccc2-c2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 3/20 0.51
DRD4 P21917 2/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
GPR139 Q6DWJ6 1/20 0.48
KAT6A Q92794 1/20 0.48
NAMPT P43490 1/20 0.47
CHRM1 P11229 2/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
GSK3B P49841 1/20 0.45
CHRM2 P08172 1/20 0.44
HDAC3 O15379 1/20 0.44
ALDH1A1 P00352 1/20 0.44
VNN1 O95497 1/20 0.44
GRM5 P41594 1/20 0.44
KCNA3 P22001 1/20 0.43

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
SCHEMBL7106840 0.91 DRD2 (0.53) DRD2DRD3ADRA2CCHRM3DRD4
SCHEMBL6165690 0.91 ADRA2C (0.52) DRD2DRD3ADRA2CCHRM3DRD4
SCHEMBL13655684 0.81 CHRM3 (0.79) CHRM3CHRM1CHRM2
SCHEMBL6165362 0.79 EPHX2 (0.51) DRD2DRD3CHRM3DRD4DRD1
SCHEMBL17142140 0.79 HDAC2 (0.64) CHRM3GPR139GAAALDH1A1VNN1
SCHEMBL5929298 0.76 BDKRB1 (0.67)
SCHEMBL6164911 0.76 ADRA2C (0.61) ADRA2CKAT6A
SCHEMBL10980808 0.75 ADRA2C (0.68) ADRA2C
SCHEMBL6166155 0.75 ADRA2C (0.68) ADRA2CHPGDALDH1A1
SCHEMBL6165957 0.75 LMNA (0.64) ADRA2CHPGDALDH1A1

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 DRD2 4243/4885DRD3 3530/4885ADRA2C 1810/4885

“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.