SCHEMBL4966422

SCHEMBL4966422

CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(P(N)(N)=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 3/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ PREP P48147 3/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL4968962 0.87 SIGMAR1 (0.52) ACE2SIGMAR1CHRM2CHRM5CHRM1
SCHEMBL4968449 0.84 SIGMAR1 (0.41) ACE2SIGMAR1CHRM2CHRM5CHRM1
SCHEMBL4967291 0.83 TMEM97 (0.44) ACE2SIGMAR1TRPM8CHRM5TMEM97
SCHEMBL4964958 0.82 TMEM97 (0.47) SIGMAR1TRPM8CHRM2CHRM5CHRM1
SCHEMBL4964959 0.78 HSD17B10 (0.39) SIGMAR1PREPCHRM2CHRM5CHRM1
SCHEMBL4964479 0.75 GLA (0.45) SIGMAR1TRPM8CTSLCTSBCTSS
SCHEMBL4078596 0.74 CASP3 (0.52) PREPCTSLCTSBCTSK
SCHEMBL4077350 0.74 CASP3 (0.52) PREPCTSLCTSBCTSK
SCHEMBL4077352 0.74 CASP3 (0.52) PREPCTSLCTSBCTSK
SCHEMBL4082421 0.71 CASP3 (0.56) PREPCTSLCTSBCTSK

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-1489088-B1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE NIPPON KAYAKU KK (JP) 2008-08-13 — — EP disclosed
US-7348318-B2 α-Amino-N-(diaminophosphinyl)lactam derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-03-25 — — US disclosed
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-28 — — US disclosed
EP-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 — — EP 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-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP ACE2 332/4885SIGMAR1 2845/4885PREP 12/4885

“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.

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