SCHEMBL6653906

SCHEMBL6653906

CCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
SLC15A1 P46059 1/20 0.56
MMP2 P08253 3/20 0.55
CTSC P53634 2/20 0.55
LTA4H P09960 2/20 0.53
ANPEP P15144 1/20 0.52
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52

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
SCHEMBL988104 1.00 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7762751 0.98 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL13519233 0.92 OPRK1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
Benzoic Acid SCHEMBL28518694 0.92 MMP2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL13519232 0.92 OPRK1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2311329 0.87 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL987883 0.87 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21010316 0.86 SLC15A1 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2684591 0.85 ANPEP (0.51) SLC7A5MMP2ANPEP
Hydrochloric Acid SCHEMBL7202509 0.85 L3MBTL1 (0.54) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520883-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1995-07-12 EP claimed
EP-0520883-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1992-12-30 EP claimed
EP-0001684-B1 TETRAPEPTIDES, METHODS FOR THEIR PREPARATION AND THEIR USE IN ANALGESIC COMPOSITIONS ELI LILLY AND COMPANY (US) 1981-09-02 EP claimed
EP-0001684-A2 Tetrapeptides, methods for their preparation and their use in analgesic compositions ELI LILLY AND COMPANY (US) 1979-05-02 EP claimed
US-11180504-B2 Substituted carbapenems for the treatment of bacterial infections ORCHID PHARMA LTD. (IN) 2021-11-23 US disclosed
US-8889712-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 US disclosed
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 US disclosed
EP-1409688-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP Assets B.V. (NL) 2004-04-21 EP disclosed
WO-2003010312-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP ASSETS B.V. (NL) 2003-02-06 WO disclosed
EP-0495013-B1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORP (US) 1995-03-08 EP disclosed
EP-0226217-B1 Peptides with sulfate ester group FISONS CORP (US) 1994-01-26 EP disclosed
EP-0495013-A1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS. FISONS CORP (US) 1992-07-22 EP disclosed
WO-1991008225-A1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORPORATION (US) 1991-06-13 WO disclosed
EP-0001684-B1 TETRAPEPTIDES, METHODS FOR THEIR PREPARATION AND THEIR USE IN ANALGESIC COMPOSITIONS ELI LILLY AND COMPANY (US) 1981-09-02 EP disclosed
EP-0001684-A2 Tetrapeptides, methods for their preparation and their use in analgesic compositions ELI LILLY AND COMPANY (US) 1979-05-02 EP disclosed
US-4017513-A Method for making aminoacid amides ABBOTT LABORATORIES (US) 1977-04-12 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-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels OPRL1, TRPV1, ORAI1 ALPI 4551/4885PKM 3734/4885PTGS1 1503/4885
US-11180504-B2 Substituted carbapenems for the treatment of bacterial infections SLC11A2, GSK3B, GSK3A ALPI 207/4885PKM 275/4885PTGS1 2147/4885

“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.