SCHEMBL985985

SCHEMBL985985

O=COC1CCC(CNC(=O)c2cc(Cl)cc3ccn(Cc4csc(-c5ccccc5)n4)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 9/20 0.43
KLKB1 P03952 10/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
CHRM1 P11229 1/20 0.40
LMNA P02545 1/20 0.39
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ATM Q13315 1/20 0.38
ACKR3 P25106 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL988225 0.90 DRD2 (0.42) KLK1KLKB1DRD2HTR2AHRH1
SCHEMBL985984 0.88 KLK1 (0.46) KLK1KLKB1DRD2HTR2AHRH1
SCHEMBL27855513 0.88 KLK1 (0.46) KLK1KLKB1DRD2HTR2AHRH1
SCHEMBL12584712 0.87 KLK1 (0.45) KLK1KLKB1DRD2HTR2AHRH1
SCHEMBL988294 0.84 DRD2 (0.37) DRD2CHRM1DRD4USP30
SCHEMBL987469 0.84 ACACB (0.38) DRD2CHRM1DRD4
SCHEMBL988182 0.82 HTR4 (0.35) DRD2CHRM1DRD4
SCHEMBL988224 0.79 DRD2 (0.44) KLK1KLKB1DRD2HTR2AHRH1
SCHEMBL12584717 0.78 KLK1 (0.47) KLK1KLKB1DRD2LMNADRD4
SCHEMBL12584735 0.78 KLK1 (0.43) KLK1KLKB1DRD2HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US claimed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US claimed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP claimed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 KLK1 1672/4885KLKB1 2890/4885DRD2 954/4885

“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.