SCHEMBL4193528

SCHEMBL4193528

COc1cc(Br)ccc1OC1CNCC1O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
HTR6 P50406 1/20 0.41
SLC6A2 P23975 1/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL4211817 1.00 SLC6A4 (0.44) SLC6A4HTR6SLC6A2GLA
SCHEMBL2580468 0.80 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL4193347 0.77 SLC6A4 (0.46) SLC6A4HTR6SLC6A2GLA
SCHEMBL4193344 0.76 KDM4E (0.39)
SCHEMBL4225725 0.76 KDM4E (0.39)
SCHEMBL14862428 0.74 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL4199136 0.72 ALDH1A1 (0.41)
SCHEMBL14862733 0.72 SLC6A4 (0.52) SLC6A4HTR6SLC6A2
SCHEMBL1722546 0.71 CA1 (0.40) SLC6A4
Fumaric Acid SCHEMBL10839501 0.71 SMN1; SMN2 (0.44) SLC6A4SLC6A2

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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (2 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SLC6A4 938/4885HTR6 294/4885SLC6A2 531/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SLC6A4 878/4885HTR6 265/4885SLC6A2 531/4885

“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.