SCHEMBL5744538

SCHEMBL5744538

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
ACE P12821 1/20 0.55
APP P05067 4/20 0.55
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
MME P08473 1/20 0.53
CYP3A4 P08684 2/20 0.51
SYK P43405 1/20 0.50
KLK5 Q9Y337 1/20 0.48

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
SCHEMBL5411669 1.00 ATM (0.67) ATMACEAPPCTSSCTSK
SCHEMBL5411660 1.00 ATM (0.67) ATMACEAPPCTSSCTSK
SCHEMBL9018576 0.92 MME (0.65) ATMACEAPPCTSSCTSK
SCHEMBL9018574 0.92 MME (0.65) ATMACEAPPCTSSCTSK
SCHEMBL9149555 0.92 ATM (0.64) ATMACEAPPCTSSCTSK
SCHEMBL10654836 0.92 ATM (0.64) ATMACEAPPCTSSCTSK
SCHEMBL15159951 0.92 ATM (0.73) ATMACEAPPCTSSCTSK
SCHEMBL23459125 0.91 ATM (0.62) ATMACEAPPCTSSCTSK
SCHEMBL23459126 0.91 ATM (0.62) ATMACEAPPCTSSCTSK
SCHEMBL23168374 0.91 ATM (0.65) ATMACEAPPCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017890-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-01-16 US disclosed
CN-111094238-B Carbamoyl phenylalaninol analogues and uses thereof 杰资制药爱尔兰有限公司 2023-06-09 CN disclosed
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF HERCULES CAPITAL, INC. 2022-12-22 US disclosed
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF HERCULES CAPITAL, INC. 2022-12-22 US disclosed
US-11413264-B2 Carbamoyl phenylalaninol analogs and uses thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-08-16 US disclosed
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-04-01 US disclosed
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-04-01 US disclosed
CN-111094238-A Carbamoyl phenylalaninol analogs and uses thereof 杰资制药爱尔兰有限公司 2020-05-01 CN disclosed
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 WO 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 (5 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-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS ATM 4027/4885ACE 16/4885APP 2700/4885
US-11413264-B2 Carbamoyl phenylalaninol analogs and uses thereof DNPEP, CPS1, GLS ATM 4027/4885ACE 16/4885APP 2700/4885
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS ATM 4027/4885ACE 16/4885APP 2700/4885
US-20250017890-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS ATM 4027/4885ACE 16/4885APP 2700/4885
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 ATM 2561/4885ACE 708/4885APP 3713/4885

“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.