SCHEMBL9767570

SCHEMBL9767570

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
AAK1 Q2M2I8 3/20 0.37
SLC7A5 Q01650 1/20 0.31
LAP3 P28838 2/20 0.30

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
SCHEMBL89565 1.00 ANPEP (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL9767580 1.00 ANPEP (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
Hydrochloric Acid SCHEMBL56538 0.98 GMNN (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
Hydrochloric Acid SCHEMBL56452 0.98 GMNN (0.44) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL9767573 0.87 ANPEP (0.50) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL5862306 0.82 ANPEP (0.46) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL913495 0.82 ANPEP (0.46) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL29322854 0.81 HSD17B10 (0.48) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL6215601 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17152441 0.78 HTT (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 US disclosed
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2020-11-12 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed
US-5019647-A Antigrowth and anticarconogenic hexapeptide MERCK & CO., INC. (US) 1991-05-28 US 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 (2 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-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP ANPEP 1249/4885ERAP1 637/4885ERAP2 379/4885
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS TPMT, ADORA2A, PNP ANPEP 1249/4885ERAP1 637/4885ERAP2 379/4885

“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.