SCHEMBL1344110

SCHEMBL1344110

CC1C(=O)N(CCCCN2CCC[C@@H]2CO)CCN1C(=O)C=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR2 P41597 11/20 0.38
GPR183 P32249 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 1/20 0.37
PYGL P06737 1/20 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
SCHEMBL1344108 1.00 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1344106 1.00 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1344361 1.00 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1344363 1.00 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1341258 0.98 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1341256 0.98 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1341261 0.98 HRH3 (0.39) HRH3NPC1RAB9ATDP1CCR2
SCHEMBL1342061 0.88 LMNA (0.42) HRH3KMT2A
SCHEMBL1342060 0.88 LMNA (0.42) HRH3KMT2A
SCHEMBL1342058 0.88 LMNA (0.42) HRH3KMT2A

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-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 HRH3 137/4885NPC1 1067/4885RAB9A 914/4885

“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.