SCHEMBL6316889

SCHEMBL6316889

CN(C(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
BACE1 P56817 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 1/20 0.41
ACE P12821 1/20 0.40
REN P00797 1/20 0.39
AKT1 P31749 2/20 0.39
HPGD P15428 1/20 0.39
TRPA1 O75762 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2473923 1.00 ATM (0.43) ATMBACE1ITGA4ITGB7OPRM1
SCHEMBL27489128 1.00 ATM (0.43) ATMBACE1ITGA4ITGB7OPRM1
SCHEMBL8907586 0.89 L3MBTL1 (0.43) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL6316448 0.87 ATM (0.42) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL13995754 0.86 REN (0.46) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL24093689 0.85 ATM (0.41) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL3807212 0.85 ATM (0.41) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL6917836 0.85 ATM (0.41) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL2014842 0.85 ATM (0.41) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL4973190 0.84 BACE1 (0.48) ATMBACE1ITGA4ITGB7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484464-B1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-10-28 EP disclosed
WO-2017165204-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-09-28 WO disclosed
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
US-5977178-A Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 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 (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-20030055261-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, IGFBP1 ATM 4618/4885BACE1 528/4885ITGA4 4874/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR ATM 4668/4885BACE1 567/4885ITGA4 4873/4885

“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.