SCHEMBL4879052

SCHEMBL4879052

CCc1cccc(C)c1-n1cc(/C(=N/OC2CCNCC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4879060 1.00 HTR1A (0.32) HTR1ASLC6A2SLC6A4HTR6NPC1
SCHEMBL4878158 0.95 MAPK14 (0.33) HTR6
SCHEMBL4878153 0.95 MAPK14 (0.33) HTR6
SCHEMBL4871335 0.94 HTR1A (0.34) HTR1ASLC6A2SLC6A4NPC1RAB9A
SCHEMBL4871343 0.94 HTR1A (0.34) HTR1ASLC6A2SLC6A4NPC1RAB9A
SCHEMBL4876873 0.91 KMT2A (0.37) NPC1RAB9A
SCHEMBL4876883 0.91 KMT2A (0.37) NPC1RAB9A
SCHEMBL4868872 0.90 GPR6 (0.34) HTR1ASLC6A2SLC6A4
SCHEMBL4879095 0.90 MAPK14 (0.37) HTR1ASLC6A2SLC6A4
SCHEMBL4879098 0.90 MAPK14 (0.37) HTR1ASLC6A2SLC6A4

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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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 (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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 HTR1A 3509/4885SLC6A2 1777/4885SLC6A4 2262/4885

“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.