SCHEMBL451887

SCHEMBL451887

[c]1c[c]c2ncccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HTT P42858 3/20 0.38
MMP2 P08253 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL19695 0.71 TSHR (0.42) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL452452 0.71
SCHEMBL27504674 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL27594643 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL21831938 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL27643304 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL27643306 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL27380184 0.70 TSHR (0.41) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL2288767 0.69 NR4A2 (0.46) TSHRHTTMMP2CYP3A4KDM4E
SCHEMBL16049733 0.68 HTT (0.35) TSHRHTTMMP2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
WO-2011105700-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-01 WO disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-6166210-A Perylene imide monocarboxylic acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US disclosed
EP-1053228-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS Ciba SC Holding AG (CH) 2000-11-22 EP disclosed
WO-1999031069-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-06-24 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 (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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 TSHR 291/4885HTT 1689/4885MMP2 3980/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 TSHR 228/4885HTT 1161/4885MMP2 4391/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 TSHR 277/4885HTT 1570/4885MMP2 4042/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 TSHR 324/4885HTT 1189/4885MMP2 4385/4885

“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.