SCHEMBL7104679

SCHEMBL7104679

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(NC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP2K1 Q02750 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
ELANE P08246 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SETD7 Q8WTS6 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6163869 0.90 POLB (0.45) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL7103300 0.89 CHRM2 (0.42) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL7108857 0.89 POLB (0.46) POLBRXFP1MAP2K1KLKB1KLK1
SCHEMBL7105719 0.89 POLB (0.47) POLBRXFP1KLKB1KLK1SMN1; SMN2
SCHEMBL6166162 0.88 RAB9A (0.44) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL6161408 0.87 CHRM2 (0.42) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL7106871 0.86 BRD4 (0.44) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL7100385 0.86 POLB (0.43) CHRM2CHRM1CHRM3POLBRXFP1
SCHEMBL6170882 0.86 MAPT (0.45) POLBRXFP1KLKB1KLK1LMNA
SCHEMBL7108911 0.85 POLB (0.42) CHRM2CHRM1CHRM3POLBRXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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 CHRM2 3921/4885CHRM1 3272/4885CHRM3 3691/4885

“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.