SCHEMBL2110086

SCHEMBL2110086

CC1CCCN(c2ccc3c(n2)OCCN(C(=O)OC(C)(C)C)C3)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
ADRA1A P35348 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
MAP4K4 O95819 5/20 0.38
GPR119 Q8TDV5 3/20 0.38
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
DGAT1 O75907 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL2111674 0.84 NR1H2 (0.47) ESR2NR1H2PIK3CAMTORGPR119
SCHEMBL2112254 0.83 ESR2 (0.40) ESR2NR1H2PIK3CAMTORGPR119
SCHEMBL2110090 0.82 MAPK1 (0.44) ESR2NR1H2PIK3CAMTORMAP4K4
SCHEMBL2110459 0.81 MAP4K4 (0.47) ESR2NR1H2PIK3CAMTORMAP4K4
SCHEMBL2110383 0.81 ESR2 (0.42) ESR2NR1H2PIK3CAMTORMAP4K4
SCHEMBL2110119 0.79 KDM4E (0.43) ESR2NR1H2PIK3CAMTORMAP4K4
SCHEMBL2889110 0.78 ESR2 (0.40) ESR2NR1H2PIK3CAMTORGPR119
SCHEMBL30098007 0.77 ESR2 (0.50) ESR2NR1H2PIK3CAMTORSMN1; SMN2
SCHEMBL2891547 0.77 ESR2 (0.50) ESR2NR1H2PIK3CAMTORSMN1; SMN2
SCHEMBL2883230 0.77 ESR2 (0.40) ESR2NR1H2PIK3CAMTORGPR119

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
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ESR2 972/4885NR1H2 2755/4885ADRA1A 218/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ESR2 972/4885NR1H2 2755/4885ADRA1A 218/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ESR2 972/4885NR1H2 2755/4885ADRA1A 218/4885

“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.