SCHEMBL3098015

SCHEMBL3098015

C1CCC(C2CCCN2)(N2CCCC2)[N]C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
Hydrochloric Acid SCHEMBL1190399 0.68 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL4496620 0.61
SCHEMBL20833461 0.59 MAPT (0.42) SLC6A4SLC6A3
SCHEMBL20833494 0.59 SLC6A4 (0.38) SLC6A4SLC6A3
SCHEMBL20208763 0.59 MAPT (0.42) SLC6A4SLC6A3
SCHEMBL20209452 0.59 MAPT (0.42) SLC6A4SLC6A3
SCHEMBL6288977 0.57 MAPT (0.41) SLC6A4SLC6A3
SCHEMBL20833049 0.57 MAPT (0.41) SLC6A4SLC6A3
SCHEMBL10555948 0.57 SLC6A4 (0.40) SLC6A4SLC6A3
SCHEMBL4475990 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799772-B2 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-21 US disclosed
US-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN-CILAG (FR) 2007-04-05 US 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-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer NR1H3, NR1H2, ERBB2 SLC6A4 3675/4885SLC6A3 3788/4885

“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.