SCHEMBL6165080

SCHEMBL6165080

CC(C)(C)Oc1ccc(C#N)cc1CBr

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 3/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 2/20 0.41
TRPV4 Q9HBA0 2/20 0.39
AR P10275 4/20 0.37
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
KIF11 P52732 1/20 0.33
TBXA2R P21731 2/20 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
SCHEMBL7363416 0.81 SLC6A4 (0.49) SLC6A4KCNH2SLC6A3HTR2AAR
SCHEMBL9701316 0.79 FBP1 (0.45) HTR2ATRPV4
SCHEMBL10536276 0.76 AR (0.47) SLC6A4KCNH2SLC6A3HTR2AAR
SCHEMBL6162573 0.76 AR (0.47) SLC6A4KCNH2SLC6A3HTR2ATRPV4
SCHEMBL14805912 0.76 AR (0.55) SLC6A4KCNH2SLC6A3HTR2ATRPV4
SCHEMBL6165493 0.75 AR (0.40) SLC6A4KCNH2SLC6A3HTR2ATRPV4
SCHEMBL13019869 0.75 AR (0.55) SLC6A4TRPV4ARNR3C1PGR
SCHEMBL17654529 0.73 TRPV4 (0.55) TRPV4ARNR3C1PGRNR3C2
SCHEMBL3872780 0.73 GSK3B (0.39) SLC6A4KCNH2SLC6A3HTR2AABCC9
SCHEMBL406876 0.72 VCAM1 (0.44) SLC6A4KCNH2SLC6A3HTR2AAR

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 SLC6A4 1964/4885KCNH2 3312/4885SLC6A3 1676/4885

“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.