SCHEMBL718407

SCHEMBL718407

CC(C)(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
GCG P01275 3/20 0.37
HSD11B1 P28845 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL720617 0.89 KDM4E (0.39) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL720524 0.85 HRH3 (0.37) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL720842 0.84 GCG (0.38) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL718917 0.84 TMEM97 (0.38) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL721405 0.83 GCG (0.37) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL720518 0.82 LMNA (0.37) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL27852631 0.79 HDAC4 (0.40) PDE2AKDM4EABL1LMNAGCG
SCHEMBL720153 0.79 SMO (0.38) GCGHDAC4
SCHEMBL27852632 0.77 HDAC4 (0.35) PDE2ACNR2CNR1KDM4EABL1
SCHEMBL718792 0.75 GCG (0.66) GCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885CNR2 1387/4885CNR1 1378/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885CNR2 1387/4885CNR1 1378/4885

“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.