SCHEMBL1582709

SCHEMBL1582709

C1CCCN(N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MGLL Q99685 2/20 0.38
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
ALPG P10696 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL5526972 1.00 TSHR (0.44) TSHRMGLLHRH3ALDH1A1CA12
SCHEMBL718510 1.00 TSHR (0.44) TSHRMGLLHRH3ALDH1A1CA12
Hydrochloric Acid SCHEMBL28974479 0.97 TSHR (0.42) TSHRMGLLHRH3ALDH1A1CA12
SCHEMBL170249 0.97 TSHR (0.40) TSHRMGLLHRH3ALDH1A1CA12
SCHEMBL6300105 0.90 TSHR (0.43) TSHRMGLLALDH1A1CA12CA7
SCHEMBL31348042 0.87 ALDH1A1 (0.44) TSHRMGLLALDH1A1CA12CA7
SCHEMBL236146 0.86 MGLL (0.47) TSHRMGLLALDH1A1CA12CA7
SCHEMBL5866410 0.85 TSHR (0.34) TSHR
SCHEMBL19878897 0.82
Hydrochloric Acid SCHEMBL28019904 0.82 MGLL (0.44) TSHRMGLLALDH1A1CA12CA7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4815429-B2 2011-11-16 JP claimed
EP-1723203-B1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2011-04-20 EP claimed
EP-1723203-A1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS Clariant Produkte (Deutschland) GmbH (DE) 2006-11-22 EP claimed
WO-2005085367-A1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-09-15 WO claimed
EP-0024582-A1 Benzodiazepinones, process for their preparation and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-11 EP claimed
US-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
CN-1040874-C Triazolopyridazine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-11-25 CN disclosed
CN-1077958-A The preparation of triazolopyridazine compounds, their and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN 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 (2 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-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF ARG2, PYCR1, ARG1 TSHR 763/4885MGLL 4528/4885HRH3 538/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 TSHR 4879/4885MGLL 2805/4885HRH3 1931/4885

“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.