SCHEMBL22051240

SCHEMBL22051240

Fc1cc(-c2ccc(C3CCNCC3)cc2)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TNKS O95271 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
QDPR P09417 1/20 0.46
P2RY14 Q15391 5/20 0.46
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PARP1 P09874 2/20 0.41
KCNH2 Q12809 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
F10 P00742 1/20 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
SCHEMBL28574546 0.87 NPC1 (0.42) TNKSTNKS2P2RY14
SCHEMBL17210747 0.87 NPC1 (0.42) TNKSTNKS2P2RY14
SCHEMBL28538282 0.84 HSP90AA1 (0.40) P2RY14
SCHEMBL28572205 0.84 HSP90AA1 (0.44)
SCHEMBL18385879 0.82 NPC1 (0.39) TNKSTNKS2P2RY14
SCHEMBL18464121 0.82 HSP90AA1 (0.46)
SCHEMBL18385877 0.82 NPC1 (0.39) TNKSTNKS2P2RY14
SCHEMBL6645441 0.81 SLC18A3 (0.48) HTR2CSLC18A3SIGMAR1TNKSTNKS2
SCHEMBL12056677 0.79 NPC1 (0.37) TNKSTNKS2P2RY14
SCHEMBL13345627 0.79 NPC1 (0.37) TNKSTNKS2P2RY14

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
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 US disclosed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 US disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 EP disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 EP disclosed
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 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-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF DOCK2, DOCK11, DOCK5 HTR2C 4655/4885SLC18A3 3620/4885SIGMAR1 1401/4885

“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.