SCHEMBL197989

SCHEMBL197989

O=C(O)C1CC(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
SCHEMBL199332 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL25396765 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL8512122 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 428 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
EP-2922559-B1 SYNTHETIC LINEAR APELIN MIMETICS FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2018-10-10 EP claimed
US-10005829-B2 Synthetic linear apelin mimetics for the treatment of heart failure NOVARTIS AG (CH) 2018-06-26 US claimed
CN-105007928-B For treating the synthesizing linear APELIN analogies of heart failure 诺华股份有限公司 2018-03-20 CN claimed
EP-3154568-A1 NON-CANONICAL INSULINS AND THEIR USES California Institute of Technology (US) 2017-04-19 EP claimed
US-20160076058-A1 HYDROCARBON-PRODUCING GENES AND METHODS OF THEIR USE GENOMATICA, INC. 2016-03-17 US claimed
WO-2015191705-A1 NON-CANONICAL INSULINS AND THEIR USES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-17 WO claimed
US-20150353619-A1 Non-Canonical Insulins and Their Uses CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-12-10 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
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 US claimed
JP-2002506075-A 2002-02-26 JP claimed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP claimed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 WO claimed
EP-0732399-A2 Chymotrypsin-like proteases and their inhibitors CEPHALON, INC. (US) 1996-09-18 EP claimed
EP-0518955-A4 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS 1993-09-22 EP claimed
EP-0518955-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1992-12-23 EP claimed
WO-1991013904-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1991-09-19 WO claimed
US-4851514-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, REACTING CERIUM TRICHLORIDE WITH PHENYLLITHIUM TO PRODUCE TRIPHENYL CERIUM E. R. SQUIBB & SONS, INC. (US) 1989-07-25 US claimed
US-4734508-A GRIGNARD REACTION WITH TRIPHENYLCERIUM E. R. SQUIBB & SONS, INC. (US) 1988-03-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 HDAC2 879/4885DPP4 3/4885AKR1C3 3377/4885
US-20150353619-A1 Non-Canonical Insulins and Their Uses IAPP, IDE, INSR HDAC2 4273/4885DPP4 37/4885AKR1C3 2293/4885
US-10005829-B2 Synthetic linear apelin mimetics for the treatment of heart failure APLNR, AP3B1, FABP3 HDAC2 4410/4885DPP4 165/4885AKR1C3 1893/4885

“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.