SCHEMBL6320671

SCHEMBL6320671

Cc1ccc2ncccc2c1-n1ncc(C(=O)O)c1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 11/20 0.53
NFE2L2 Q16236 11/20 0.53
SLC9A1 P19634 3/20 0.51
SLC9A2 Q9UBY0 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
MALT1 Q9UDY8 1/20 0.44
IL1B P01584 1/20 0.43
SLC2A1 P11166 1/20 0.41
TP53 P04637 1/20 0.40
SPR P35270 1/20 0.40

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
SCHEMBL6321176 0.87 SLC9A1 (0.47) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6312274 0.86 SLC9A1 (0.51) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
Hydrochloric Acid SCHEMBL6320675 0.85 SLC9A1 (0.72) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
Hydrochloric Acid SCHEMBL6319935 0.84 SLC9A1 (0.51) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
SCHEMBL6314770 0.81 NR4A3 (0.54) SLC9A1MALT1IL1BTP53
SCHEMBL6262880 0.81 SLC9A1 (0.74) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
Hydrochloric Acid SCHEMBL7686352 0.80 SLC9A1 (0.74) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
SCHEMBL20265392 0.79 MALT1 (0.62) SLC9A1MALT1IL1B
SCHEMBL6312530 0.77 SLC9A1 (0.62) KEAP1NFE2L2SLC9A1SLC9A2OPRM1
SCHEMBL6321480 0.77 TP53 (0.47) SLC9A1SLC9A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 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
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 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 (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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 KEAP1 313/4885NFE2L2 450/4885SLC9A1 5/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR KEAP1 3920/4885NFE2L2 2401/4885SLC9A1 2899/4885

“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.