SCHEMBL290716

SCHEMBL290716

O=c1cc[nH]c2c1NCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.38
MAP2K1 Q02750 1/20 0.35
SRC P12931 1/20 0.35
CCR8 P51685 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
CDC7 O00311 1/20 0.34
PARP1 P09874 5/20 0.34
KDR P35968 1/20 0.34
PRKD1 Q15139 2/20 0.33
KMT2A Q03164 1/20 0.33
FKBP5 Q13451 1/20 0.32
CRBN Q96SW2 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32

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
SCHEMBL706419 0.72
SCHEMBL293154 0.71 PARP1 (0.40) CCR8PARP1KMT2AKDM4EALDH1A1
SCHEMBL19032017 0.69 PARP1 (0.39) CCR8PARP1KMT2AKDM4EALDH1A1
SCHEMBL30667285 0.68 DYRK1A (0.39) MAP2K1CCR8PARP1KMT2AKDM4E
SCHEMBL6321531 0.67 FKBP5 (0.34) GRIA1GRIA2GRIA3GRIA4FKBP5
SCHEMBL31747859 0.65 CCR8 (0.32) CCR8PARP1KMT2A
SCHEMBL9488322 0.65 DAO (0.37) CDC7PARP1KDRKDM4EALDH1A1
SCHEMBL7156772 0.64 MAP2K1 (0.52) OR51E2MAP2K1GRIA1GRIA2GRIA3
SCHEMBL7103933 0.63 GRIA1 (0.56) OR51E2MAP2K1GRIA1GRIA2GRIA3
SCHEMBL18561333 0.63 UHRF1 (0.36) OR51E2KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
EP-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP claimed
JP-2010502723-A 2010-01-28 JP claimed
JP-2010502635-A 2010-01-28 JP claimed
EP-2121670-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-11-25 EP claimed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
EP-2086921-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-08-12 EP claimed
EP-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP claimed
EP-2056799-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF Bausch & Lomb Incorporated (US) 2009-05-13 EP claimed
EP-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP claimed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO claimed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO claimed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US claimed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US claimed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US claimed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO 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 (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-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF NR3C1, GNRHR, GSR OR51E2 2987/4885MAP2K1 3121/4885SRC 887/4885
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES PTGIR, GCGR, NR3C1 OR51E2 2690/4885MAP2K1 1708/4885SRC 2248/4885
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye NR3C1, GCGR, GPBAR1 OR51E2 1030/4885MAP2K1 1520/4885SRC 769/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R OR51E2 2755/4885MAP2K1 3202/4885SRC 807/4885

“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.