SCHEMBL4964959

SCHEMBL4964959

NP(N)(=O)N1CCC[C@H](N(Cc2ccco2)C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PREP P48147 1/20 0.35

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
SCHEMBL4968449 0.89 SIGMAR1 (0.41) SIGMAR1CYP2C19CHRM2CHRM5CHRM1
SCHEMBL4967291 0.82 TMEM97 (0.44) SIGMAR1CHRM5
SCHEMBL4964958 0.81 TMEM97 (0.47) LMNASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL4968962 0.80 SIGMAR1 (0.52) SIGMAR1CYP2C19CHRM2CHRM5CHRM1
SCHEMBL4966422 0.78 ACE2 (0.43) SIGMAR1CYP2C19CHRM2CHRM5CHRM1
SCHEMBL4968349 0.78 TSHR (0.41) ALDH1A1TSHRNPSR1LMNAHTT
SCHEMBL2907313 0.74 THRB (0.49) HTTCYP2C19CHRM2CHRM5CHRM1
SCHEMBL2794952 0.72 HTT (0.45) ALDH1A1TSHRNPSR1LMNAHTT
Hydrochloric Acid SCHEMBL2794947 0.71 HTT (0.45) ALDH1A1TSHRNPSR1LMNAHTT
SCHEMBL4077352 0.70 CASP3 (0.52) ALDH1A1TSHRPREP

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 HSD17B10 3127/4885ALDH1A1 1438/4885TSHR 4295/4885

“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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