SCHEMBL2109246

SCHEMBL2109246

CC(C)(C)OC(=O)N1CCN(c2ccc3c(n2)OCCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
PRMT5 O14744 1/20 0.46
ACHE P22303 1/20 0.45
GPR119 Q8TDV5 5/20 0.43
MAP4K4 O95819 1/20 0.43
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 1/20 0.40
NAMPT P43490 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL2110954 0.97 CKS1B (0.49) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL2110494 0.91 CKS1B (0.42) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL2110492 0.85 CKS1B (0.44) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL2110372 0.84 ACHE (0.45) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL2110354 0.83 CKS1B (0.44) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL2110617 0.82 SIGMAR1 (0.47) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL2110459 0.81 MAP4K4 (0.47) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL29883371 0.80 PRMT5 (0.46) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL28671430 0.80 PRMT5 (0.46) CKS1BSKP1SKP2PRMT5ACHE
SCHEMBL29883110 0.80 PRMT5 (0.47) CKS1BSKP1SKP2PRMT5ACHE

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 20 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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
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
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US 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-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 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
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 CKS1B 3376/4885SKP1 3187/4885SKP2 1460/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B CKS1B 3376/4885SKP1 3187/4885SKP2 1460/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B CKS1B 3376/4885SKP1 3187/4885SKP2 1460/4885

“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.