SCHEMBL163397

SCHEMBL163397

CN[C@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.60
ICAM1 P05362 3/20 0.60
ITGAL P20701 3/20 0.60
CYP3A4 P08684 3/20 0.59
SLC7A5 Q01650 1/20 0.59
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
SLC6A5 Q9Y345 1/20 0.53
CPB2 Q96IY4 1/20 0.51
GGT1 P19440 1/20 0.51
SLC15A2 Q16348 1/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
NFKB1 P19838 2/20 0.50
GABRA1 P14867 1/20 0.50
TSHR P16473 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRR2 P28476 1/20 0.50
GABRA5 P31644 1/20 0.50

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
SCHEMBL151336 1.00 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27043238 1.00 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
Hydrochloric Acid SCHEMBL11744091 0.98 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
Phloroglucinol SCHEMBL27988510 0.93 ITGB2 (0.54) ITGB2ICAM1ITGALCYP3A4SLC7A5
1,3,5-Trimethoxybenzene SCHEMBL27988484 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL26624081 0.89 SLC15A2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1641647 0.87 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL13979576 0.87 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL15119370 0.87 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL31326521 0.86 CYP3A4 (0.54) ITGB2ICAM1ITGALCYP3A4SLC7A5

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 1995 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
US-20090215895-A1 Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2009-08-27 US claimed
EP-1718602-A4 THERAPEUTIC AND CARRIER MOLECULES PEPLIN BIOLIPIDS PTY LTD (AU) 2007-12-12 EP claimed
US-7256172-B1 Method of treatment and agents useful for same THE UNIVERSITY OF MELBOURNE (AU) 2007-08-14 US claimed
EP-1718602-A1 THERAPEUTIC AND CARRIER MOLECULES Peplin Biolipids Pty Ltd. (AU) 2006-11-08 EP claimed
WO-2005073164-A1 THERAPEUTIC AND CARRIER MOLECULES PEPLIN BIOLIPIDS PTY LTD (AU) 2005-08-11 WO claimed
CN-1630709-A Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2005-06-22 CN claimed
CN-122094704-A Formulations for oral administration of active agents comprising a combination of acid-neutralizing polymer and non-polymeric material 2026-05-26 CN disclosed
US-20260140060-A1 COLORIMETRIC DETECTION OF A VIRAL INFECTION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2026-05-21 US disclosed
US-20260124281-A1 FORMULATIONS COMPRISING ACID-NEUTRALIZING POLYMER FOR ORAL ADMINISTRATION OF PARATHYROID HORMONE ENTERA BIO LTD. (IL) 2026-05-07 US disclosed
WO-2026085582-A1 PROTEIN CAGES THE UNIVERSITY OF SYDNEY (AU) 2026-04-30 WO disclosed
EP-4731266-A1 NANOPARTICLE COMPOSITIONS ASSOCIATED WITH PEPTIDES The Regents of the University of Michigan (US) 2026-04-29 EP disclosed
WO-1997004091-A1 NOVEL RECEPTOR LIGANDS AND GENETIC SEQUENCES ENCODING SAME AMRAD OPERATIONS PTY. LTD. (AU) 1997-02-06 WO disclosed
EP-0745092-A1 PEPTIDE INHIBITORS OF UROKINASE RECEPTOR ACTIVITY CHIRON CORPORATION (US) 1996-12-04 EP disclosed
EP-0672049-A1 SUPPORT FOR THE SYNTHESIS OF MODULAR POLYMERS CHIRON MIMOTOPES PTY. LTD. (AU) 1995-09-20 EP disclosed
WO-1994028014-A2 PEPTIDE INHIBITORS OF UROKINASE RECEPTOR ACTIVITY CHIRON CORPORATION (US) 1994-12-08 WO disclosed
WO-1994011388-A1 SUPPORT FOR THE SYNTHESIS OF MODULAR POLYMERS CHIRON MIMOTOPES PTY. LTD. (AU) 1994-05-26 WO disclosed
WO-1994003483-A1 ENDOTHELIN RECEPTOR-BINDING COMPOUNDS CHIRON CORPORATION (US) 1994-02-17 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 (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-20090215895-A1 Therapeutic and carrier molecules PHKG1, PHKG2, DGKB ITGB2 3755/4885ICAM1 505/4885ITGAL 4221/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A ITGB2 1486/4885ICAM1 1693/4885ITGAL 2049/4885
US-20260124281-A1 FORMULATIONS COMPRISING ACID-NEUTRALIZING POLYMER FOR ORAL ADMINISTRATION OF PARATHYROID HORMONE PTH1R, FGF23, PTMS ITGB2 661/4885ICAM1 1198/4885ITGAL 651/4885
US-20260140060-A1 COLORIMETRIC DETECTION OF A VIRAL INFECTION CTSL, CPA4, ACE2 ITGB2 4461/4885ICAM1 2153/4885ITGAL 3596/4885

“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.