SCHEMBL4963484

SCHEMBL4963484

COc1ccc(CN[C@H]2CCCN(P(N)(N)=O)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 5/20 0.43
HRH3 Q9Y5N1 3/20 0.43
SSTR3 P32745 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL4965377 0.84 POLB (0.43) MEN1KMT2AALDH1A1HRH3SMN1; SMN2
SCHEMBL4966573 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HRH3SMN1; SMN2
SCHEMBL4965960 0.79 DPP4 (0.36) TSHR
SCHEMBL4966481 0.74 DPP4 (0.39) ALDH1A1HRH3SMN1; SMN2KDM4E
SCHEMBL4971566 0.73 DPP4 (0.42)
SCHEMBL4965947 0.73 USP2 (0.46) KMT2ATSHRALDH1A1MAPK1KDM4E
SCHEMBL4964982 0.72 DPP4 (0.44)
SCHEMBL4963882 0.71 DPP4 (0.41) HRH3
SCHEMBL4964030 0.71 DPP4 (0.42) LMNASMN1; SMN2
SCHEMBL4969087 0.70 DPP4 (0.40)

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 MEN1 2936/4885KMT2A 884/4885LMNA 2427/4885

“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.