SCHEMBL2354582

SCHEMBL2354582

CCCCc1nnc(OC2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)c(C(=O)NC(C)(C)CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
CNR2 P34972 7/20 0.40
DGAT2 Q96PD7 2/20 0.37
KCNH2 Q12809 4/20 0.32
NTRK1 P04629 2/20 0.32
NTRK2 Q16620 2/20 0.32
NTRK3 Q16288 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
WNT1 P04628 1/20 0.32
DDX3X O00571 1/20 0.32
HRH1 P35367 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
WDR5 P61964 1/20 0.31

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
SCHEMBL2350081 0.87 PDE4B (0.36) CNR1CNR2KCNH2NTRK1NTRK2
SCHEMBL2345686 0.87 SYK (0.37) NTRK1DDX3XPDE4APDE4BPDE4C
SCHEMBL2345136 0.87 PDE4B (0.35) KCNH2NTRK1NTRK2NTRK3CTSL
Hydrochloric Acid SCHEMBL2351913 0.86 PDE4B (0.35) CNR1CNR2KCNH2NTRK1NTRK2
SCHEMBL12254323 0.83 DDX3X (0.40) KCNH2DDX3XHRH1PDE4APDE4B
Hydrochloric Acid SCHEMBL2381183 0.82 DDX3X (0.39) KCNH2DDX3XHRH1PDE4APDE4B
SCHEMBL2382486 0.82 MELK (0.35) KCNH2CTSLCTSBCTSSDDX3X
SCHEMBL2383232 0.82 DDX3X (0.39) KCNH2NTRK1NTRK2NTRK3CTSL
Hydrochloric Acid SCHEMBL2346533 0.81 MELK (0.35) KCNH2DDX3XHRH1PDE4APDE4B
Hydrochloric Acid SCHEMBL2350125 0.81 DDX3X (0.38) KCNH2NTRK1NTRK2NTRK3CTSL

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 9 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
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (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 CNR1 954/4885CNR2 856/4885DGAT2 2750/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 CNR1 749/4885CNR2 759/4885DGAT2 2523/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 CNR1 749/4885CNR2 759/4885DGAT2 2523/4885

“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.