SCHEMBL2583749

SCHEMBL2583749

COC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
P2RX7 Q99572 3/20 0.55
FKBP1A P62942 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP3A4 P08684 1/20 0.50
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
ALOX15 P16050 1/20 0.49
CAPN1 P07384 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL927807 1.00 KMT2A (0.57) KMT2AP2RX7FKBP1AGAAALDH1A1
SCHEMBL24434796 1.00 KMT2A (0.57) KMT2AP2RX7FKBP1AGAAALDH1A1
SCHEMBL5741011 0.96 KMT2A (0.54) KMT2AP2RX7FKBP1AGAAALDH1A1
SCHEMBL22452838 0.92 CAPN1 (0.58) KMT2AP2RX7FKBP1AALDH1A1HCRTR1
SCHEMBL28681218 0.92 CAPN1 (0.58) KMT2AP2RX7FKBP1AALDH1A1HCRTR1
SCHEMBL19975250 0.88 ALDH1A1 (0.66) KMT2AFKBP1AALDH1A1CYP2C19TSHR
SCHEMBL17319526 0.87 KMT2A (0.74) KMT2AGAAALDH1A1CYP2C9CYP2C19
SCHEMBL12471703 0.87 KMT2A (0.74) KMT2AGAAALDH1A1CYP2C9CYP2C19
SCHEMBL10377790 0.87 P2RX7 (0.60) KMT2AP2RX7GAAALDH1A1CYP2C9
SCHEMBL7491535 0.86 KMT2A (0.58) KMT2AGAAHDAC1HDAC6HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
CN-101511787-B Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD. (GB) 2011-11-30 CN disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
CN-101511787-A Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD (GB) 2009-08-19 CN disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
US-6818643-B1 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-16 US disclosed
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed
EP-0381959-B1 Cyclohexaneacetamide derivatives HOFFMANN LA ROCHE (CH) 1995-05-03 EP disclosed
US-5015653-A Posess Cognitive Enhancement And Antiamnestic Activity HOFFMANN-LA ROCHE INC. (US) 1991-05-14 US disclosed
EP-0381959-A1 Cyclohexaneacetamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-16 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 (4 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB KMT2A 2167/4885P2RX7 4597/4885FKBP1A 1139/4885
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 KMT2A 4700/4885P2RX7 1/4885FKBP1A 481/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 KMT2A 4700/4885P2RX7 1/4885FKBP1A 481/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB KMT2A 2167/4885P2RX7 4597/4885FKBP1A 1139/4885

“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.