SCHEMBL199332

SCHEMBL199332

O=C(O)[C@@H]1C[C@H](c2ccccc2)CN1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.65
DPP4 P27487 3/20 0.52
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
RPS6KB1 P23443 1/20 0.44
F2 P00734 1/20 0.42

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
SCHEMBL197990 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL5201978 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL124005 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL7870187 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL20011747 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL25396765 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL8512122 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL197989 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
Hydrochloric Acid SCHEMBL18094024 0.98 HDAC2 (0.63) HDAC2DPP4AKR1C3AKR1C1CYP1A2
Hydrochloric Acid SCHEMBL10461198 0.98 HDAC2 (0.63) HDAC2DPP4AKR1C3AKR1C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019011879-A1 THERAPEUTIC FOR TREATING CAPILLARY LEAK SYNDROME HENNING RAINER (CH) 2019-01-17 WO claimed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
US-9896481-B2 Modified mini-hepcidin peptides and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US claimed
EP-2334324-A2 BBETA (15-42) AND ITS ANALOGUES COMBINED WITH CYCLOSPORINE FOR TREATMENT OF REPERFUSION INJURY Fibrex Medical Research & Development GmbH (AT) 2011-06-22 EP claimed
EP-2328925-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-06-08 EP claimed
US-7884074-B2 Compounds and methods for prevention and/or treatment of inflammation using the same Ikaria Development Subsidiary Two, LLC (US) 2011-02-08 US claimed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
US-20100099602-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 US claimed
WO-2010043972-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 WO claimed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 US claimed
US-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 US claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
EP-4153310-B1 BBETA-15-42 FOR THE TREATMENT OF VIRAL ENDOTHELITIS F4 PHARMA GMBH (AT) 2026-02-18 EP disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 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 (6 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-20100099602-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY HIF1AN, HIF1A, EGLN3 HDAC2 605/4885DPP4 975/4885AKR1C3 1125/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR HDAC2 3229/4885DPP4 3514/4885AKR1C3 1259/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS HDAC2 1865/4885DPP4 1236/4885AKR1C3 898/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 HDAC2 3498/4885DPP4 2497/4885AKR1C3 2458/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS HDAC2 1865/4885DPP4 1236/4885AKR1C3 898/4885
US-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NPR3, RXFP3, RXFP1 HDAC2 2568/4885DPP4 2036/4885AKR1C3 3045/4885

“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.