SCHEMBL2309985

SCHEMBL2309985

O=C1NCCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TYK2 P29597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2307392 0.80 TDP1 (0.46) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL30684650 0.78 DDB1 (0.61) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL17055184 0.77 DDB1 (0.59) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL28002365 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL19398963 0.77 SLC6A3 (0.47) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL6996372 0.76 L3MBTL1 (0.48) HTR2CDDB1CRBNPARP1PARP2
SCHEMBL13758369 0.76 DDB1 (0.56) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL3730431 0.76 DDB1 (0.56) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL10679608 0.75 SLC6A3 (0.50) HTR2CPARP1PARP2MAPTKMT2A
SCHEMBL10679614 0.75 SLC6A3 (0.50) HTR2CPARP1PARP2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239146-A Novel compounds as calcium channel blockers ABBOTT LAB 2011-11-09 CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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 (1 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HTR2C 619/4885PDE4A 1463/4885PDE4B 1541/4885

“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.