SCHEMBL895533

SCHEMBL895533

O=C(O)C1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
CYP2C19 P33261 1/20 0.60
ADRB1 P08588 1/20 0.58
RBP4 P02753 1/20 0.57
CHRM4 P08173 1/20 0.57
PKM P14618 2/20 0.56
SLC6A7 Q99884 1/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LCAT P04180 1/20 0.48
IDH2 P48735 1/20 0.48
ACACB O00763 1/20 0.48
PARP1 P09874 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL971605 0.88 ADRB1 (0.57) KDM4ECYP2C19ADRB1RBP4CHRM4
SCHEMBL13485751 0.86 CHRM4 (0.59) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL2328007 0.83 ADRB1 (0.54) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL5463427 0.83 ADRB1 (0.64) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL2330983 0.82 ADRB1 (0.53) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL8354208 0.81 ADRB1 (0.78) KDM4EADRB1RBP4PKMSLC6A7
SCHEMBL5232026 0.81 SLC6A7 (0.68) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL1728756 0.80 CHRM4 (0.59) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL1994796 0.80 ADRB1 (0.64) KDM4EADRB1RBP4CHRM4PKM
SCHEMBL14923154 0.80 ADRB1 (0.64) KDM4EADRB1RBP4PKMSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
EP-2048132-A1 Tetrahydro-naphthalene and urea derivatives Xention Limited (GB) 2009-04-15 EP disclosed
EP-1670761-B1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES XENTION LTD (GB) 2009-01-28 EP disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 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 (5 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 KDM4E 804/4885CYP2C19 467/4885ADRB1 362/4885
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives NQO2, UGT1A4, CYP4B1 KDM4E 715/4885CYP2C19 205/4885ADRB1 2327/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 KDM4E 804/4885CYP2C19 467/4885ADRB1 362/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KDM4E 3911/4885CYP2C19 430/4885ADRB1 3600/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 KDM4E 804/4885CYP2C19 467/4885ADRB1 362/4885

“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.