SCHEMBL6479809

SCHEMBL6479809

N[C@@H](CC1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
EPHX1 P07099 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
Hydrochloric Acid SCHEMBL3825774 0.99 IDO1 (0.51) IDO1METAP2METAP1CTSLCTSB
Hydrochloric Acid SCHEMBL7297833 0.99 IDO1 (0.51) IDO1METAP2METAP1CTSLCTSB
SCHEMBL6473457 0.99 IDO1 (0.53) IDO1METAP2METAP1CTSLCTSB
Hydrochloric Acid SCHEMBL3823025 0.97 IDO1 (0.52) IDO1METAP2METAP1CTSLCTSB
SCHEMBL25597938 0.93 IDO1 (0.55) IDO1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14190212 0.93 IDO1 (0.55) IDO1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL27504573 0.93 IDO1 (0.55) IDO1CYP3A4CYP2C9CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL7206393 0.92 IDO1 (0.46) IDO1METAP2METAP1CTSLCTSB
Hydrochloric Acid SCHEMBL3820370 0.91 IDO1 (0.54) IDO1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30695257 0.88 ALDH1A1 (0.46) METAP2METAP1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216961-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CORONAVIRUS INFECTION Lighthouse Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
WO-2022066776-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CORONAVIRUS INFECTION Cortexyme, Inc. (US) 2022-03-31 WO disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed
US-5442044-A Hypotensive agents PFIZER INC. (US) 1995-08-15 US disclosed
EP-0661292-A1 Orally active renin inhibitors PFIZER INC. (US) 1995-07-05 EP disclosed
EP-0438233-A2 Orally active renin inhibitors PFIZER INC. (US) 1991-07-24 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP IDO1 2451/4885METAP2 214/4885METAP1 89/4885

“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.