SCHEMBL389750

SCHEMBL389750

O=C(c1ccc(Br)cn1)C1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21484361 0.79 SSTR4 (0.41)
SCHEMBL28106497 0.78 SSTR4 (0.46) ALDH1A1
SCHEMBL17697621 0.77 SLC6A3 (0.43) SLC6A3KCNH2TAAR1
SCHEMBL30110448 0.77 SSTR4 (0.41) SLC6A3KCNH2TAAR1
SCHEMBL390175 0.76 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL6014996 0.76 SSTR4 (0.37) SLC6A3KCNH2TAAR1
SCHEMBL387472 0.74 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL8543691 0.70 SSTR4 (0.42)
SCHEMBL18849938 0.70 SLC6A3 (0.46) SLC6A3KCNH2TAAR1
SCHEMBL23303999 0.70 CHRNB2 (0.42) SLC6A3KCNH2TAAR1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146759-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 (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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SLC6A3 328/4885KCNH2 3177/4885TAAR1 34/4885

“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.