SCHEMBL17066447

SCHEMBL17066447

CN1CCN(OC(=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 2/20 0.52
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
TSHR P16473 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
SETD7 Q8WTS6 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2510973 0.83 KMT2A (0.50) KMT2AMEN1TSHRCHRNB2CHRNA5
SCHEMBL29261428 0.83 KMT2A (0.49) KMT2AMEN1TSHRCHRNB2CHRNA5
SCHEMBL176857 0.82 F2 (0.45) KMT2AMEN1TSHRCHRNB2CHRNA5
SCHEMBL1249246 0.81 HPGD (0.53) KMT2AMEN1TSHRCHRNB2CHRNA5
Methyl Benzoate SCHEMBL27774033 0.81 TSHR (0.73) KMT2AMEN1POLBSCN1ASCN2A
SCHEMBL28495717 0.81 HPGD (0.53) KMT2AMEN1TSHRCHRNB2CHRNA5
SCHEMBL17066251 0.81 HRH3 (0.45) POLBTSHRCHRM1F2LMNA
SCHEMBL29111292 0.81 HPGD (0.58) POLBTSHRHPGD
SCHEMBL28283562 0.81 F2 (0.44) KMT2AMEN1POLBSCN1ASCN2A
SCHEMBL27383717 0.81 SIGMAR1 (0.54) KMT2AMEN1POLBTSHRCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
CN-103102314-B Benzothiazole, benzoglyoxaline, benzoxazole derivative and its production and use SICHUAN UNIVERSITY (CN) 2015-09-09 CN disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 US disclosed
CN-104520290-A Amido spirocyclic amide and sulfonamide derivatives GENENTECH INC 2015-04-15 CN disclosed
CN-104072498-A Synthetic method for (R)-N-[5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-yl]-4-(4-methyl piperazine-1-yl)benzamide UNIV SHENYANG PHARMACEUTICAL 2014-10-01 CN disclosed
CN-104039789-A Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators MERCK PATENT GMBH 2014-09-10 CN disclosed
CN-103102314-A Benzothiazole, benzimidazole, benzoxazole derivatives and preparation method and application thereof UNIV SICHUAN 2013-05-15 CN disclosed
CN-103080093-A Indazole compounds and their uses DANA FARBER CANCER INST INC 2013-05-01 CN disclosed
CN-102958892-A Method for preparing chemical compounds of interest by aromatic nucleophilic substitution CENTRE NAT RECH SCIENT 2013-03-06 CN disclosed
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 CN disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
CN-101805309-A Benzamide derivatives as histone deacetylase inhibitors ASTRAZENECA AB 2010-08-18 CN disclosed
CN-101611014-A Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
CN-101511841-A Tetrahydrofuro [3, 2-B ] pyrrol-3-ones as cathepsin K inhibitors ARMURA THERAPEUTICS LTD (GB) 2009-08-19 CN disclosed
CN-101506185-A Tetrahydrofuro [3, 2-B] pyrrol-3-one intermediates ARMURA THERAPEUTICS LTD (GB) 2009-08-12 CN disclosed
CN-1642915-A Benzamide derivatives useful as inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-07-20 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-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 KMT2A 2533/4885MEN1 4767/4885POLB 1445/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 KMT2A 2533/4885MEN1 4767/4885POLB 1445/4885

“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.