SCHEMBL913495

SCHEMBL913495

CC(C)COC[C@@H](N)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
AAK1 Q2M2I8 3/20 0.38
SLC7A5 Q01650 1/20 0.32
LAP3 P28838 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5862306 1.00 ANPEP (0.46) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL9767573 0.95 ANPEP (0.50) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL11029370 0.86 ALDH1A1 (0.33) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL89565 0.82 ANPEP (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL9767570 0.82 ANPEP (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL9767580 0.82 ANPEP (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
Hydrochloric Acid SCHEMBL56538 0.80 GMNN (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
Hydrochloric Acid SCHEMBL56452 0.80 GMNN (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL24073071 0.78 ANPEP (0.41) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL29322854 0.78 HSD17B10 (0.48) ANPEPERAP1ERAP2TSHRCYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132573-B2 Amine derivative NIPPON CHEMIPHER CO., LTD. (JP) 2006-11-07 US claimed
US-20050288530-A1 Amine derivative NIPPON CHEMIPHAR CO., LTD (JP) 2005-12-29 US claimed
EP-1538142-A1 AMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2005-06-08 EP claimed
US-8163942-B2 Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid VELCURA THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
US-20110003993-A1 SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO., LTD. (JP) 2011-01-06 US disclosed
EP-1619190-B1 SALTS OF (2S,3S)-3- [[(1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL]CARBAMOYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO (JP) 2010-12-29 EP disclosed
EP-1619190-B1 SALTS OF (2S,3S)-3- [[(1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL]CARBAMOYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO (JP) 2010-12-29 EP disclosed
US-7795458-B2 Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl] carbamoyl] oxirane-2-carboxylic acid NIPPON CHEMIPHAR CO., LTD (JP) 2010-09-14 US disclosed
US-20090312563-A1 SALT OF (2S, 3S)-3-[[ (1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMOYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO., LTD. (JP) 2009-12-17 US disclosed
US-7585988-B2 Salt of (2S, 3S) -3- [[(1S) -1- isobutoxymethyl-3-methylbutyl] carbamoly] oxirane-2-carboxylic acid NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-08 US disclosed
CN-100349855-C Amine derivative NIPPON CHEMIPHAR CO (JP) 2007-11-21 CN disclosed
US-7132573-B2 Amine derivative NIPPON CHEMIPHER CO., LTD. (JP) 2006-11-07 US disclosed
EP-1538142-A4 AMINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2006-07-26 EP disclosed
EP-1619190-A1 SALT OF (2S,3S)-3- (1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL CARBAMOYLOXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO., LTD. (JP) 2006-01-25 EP disclosed
US-20050288530-A1 Amine derivative NIPPON CHEMIPHAR CO., LTD (JP) 2005-12-29 US disclosed
US-20050288530-A1 Amine derivative NIPPON CHEMIPHAR CO., LTD (JP) 2005-12-29 US disclosed
CN-1681769-A Amine derivative NIPPON CHEMIPHAR CO (JP) 2005-10-12 CN disclosed
EP-1538142-A1 AMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2005-06-08 EP disclosed
EP-1538142-A1 AMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2005-06-08 EP disclosed
WO-2004024672-A1 AMINE DERIVATIVE NIPPON CHEMIPHAR CO.,LTD. (JP) 2004-03-25 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 (3 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-20050288530-A1 Amine derivative SRM, ARG1, ODC1 ANPEP 734/4885ERAP1 1568/4885ERAP2 1956/4885
US-20090312563-A1 SALT OF (2S, 3S)-3-[[ (1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMOYL] OXIRANE-2-CARBOXYLIC ACID SLC7A1, CACNA1S, SLC7A5 ANPEP 1363/4885ERAP1 2121/4885ERAP2 1775/4885
US-20110003993-A1 SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID SLC7A1, CACNA1S, SLC7A5 ANPEP 1257/4885ERAP1 1784/4885ERAP2 1541/4885

“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.