SCHEMBL2382249

SCHEMBL2382249

CCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2nnn[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.43
PDE4D Q08499 5/20 0.43
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNB1 Q02641 2/20 0.40
CACNG1 Q06432 2/20 0.40
CACNB2 Q08289 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40

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
SCHEMBL2347974 0.87 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2349460 0.86 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2349495 0.86 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2348195 0.86 PDE4D (0.44) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2345205 0.86 TBK1 (0.48) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2354788 0.86 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2350437 0.85 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2354553 0.84 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2346499 0.84 PDE4D (0.42) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL2351993 0.84 CHEK2 (0.45) PDE4BPDE4DPDE4APDE4CCACNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 PDE4B 1351/4885PDE4D 2423/4885PDE4A 1476/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 PDE4B 1068/4885PDE4D 1608/4885PDE4A 1182/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 PDE4B 1068/4885PDE4D 1608/4885PDE4A 1182/4885

“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.