Leucine

Leucine

SCHEMBL15005636

CC(C)C[C@H](N)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2].[Cl-].[Na+]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1SLC9A3

The experimentally established mechanism targets of Leucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
ANPEP P15144 6/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 2/20 0.37
CA2 P00918 1/20 0.37
LAP3 P28838 4/20 0.35
CA1 P00915 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SLC1A1 P43005 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LARS1 Q9P2J5 1/20 0.32

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
Leucine SCHEMBL16651963 0.92 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL2286761 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL3362640 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL15005520 0.89 SLC7A5 (0.67) SLC7A5SLC1A3SLC1A2RNPEPLAP3
Leucine SCHEMBL15005635 0.89 SLC7A5 (0.67) SLC7A5SLC1A3SLC1A2RNPEPLAP3
Leucine SCHEMBL9303138 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL9581376 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL7781917 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL10619258 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Leucine SCHEMBL9453845 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202227-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE PULMATRIX, INC. 2015-07-23 US disclosed
US-8992983-B2 Respirably dry powder comprising calcium lactate, sodium chloride and leucine PULMATRIX, INC. (US) 2015-03-31 US disclosed
US-20150004233-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE PULMATRIX, INC. (US) 2015-01-01 US disclosed
US-8758824-B2 Respirably dry powder comprising calcium lactate, sodium chloride and leucine PULMATRIX, INC. (US) 2014-06-24 US disclosed
US-20130164338-A1 TREATMENT OF CYSTIC FIBROSIS USING CALCIUM LACTATE, LEUCINE AND SODIUM CHLORIDE IN A RESPIRAPLE DRY POWDER PULMATRIX, INC. (US) 2013-06-27 US disclosed
US-20130149345-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE PULMATRIX INC. (US) 2013-06-13 US disclosed
EP-2448571-B1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE PULMATRIX INC (US) 2013-06-12 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 (4 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-20130149345-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE LDHA, LDHB, LCT SLC7A5 245/4885SLC1A3 753/4885SLC1A2 778/4885
US-20150004233-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE LDHA, LDHB, CLCN2 SLC7A5 218/4885SLC1A3 639/4885SLC1A2 604/4885
US-20150202227-A1 RESPIRABLY DRY POWDER COMPRISING CALCIUM LACTATE, SODIUM CHLORIDE AND LEUCINE LDHA, LDHB, CLCN2 SLC7A5 313/4885SLC1A3 572/4885SLC1A2 565/4885
US-20130164338-A1 TREATMENT OF CYSTIC FIBROSIS USING CALCIUM LACTATE, LEUCINE AND SODIUM CHLORIDE IN A RESPIRAPLE DRY POWDER CLCN2, CFTR, CA2 SLC7A5 191/4885SLC1A3 320/4885SLC1A2 301/4885

“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.