SCHEMBL716808

SCHEMBL716808

O=Cc1nn(C2CCCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 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
SCHEMBL16101090 0.80 MAP3K5 (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL30775616 0.80 MAP3K5 (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL17018057 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL13690885 0.75 CNR1 (0.59) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL8718634 0.75 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5141079 0.74 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL8718851 0.74 HTR3A (0.44) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL24291913 0.73 CYP11B2 (0.41) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL2078485 0.73 HTR3A (0.46) MEN1KMT2AKDM4EBTKHTR3E
SCHEMBL3411552 0.73 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 PDE4A 1131/4885PDE4B 836/4885PDE4C 1188/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE4A 1131/4885PDE4B 836/4885PDE4C 1188/4885

“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.