SCHEMBL390175

SCHEMBL390175

O=C(c1ccc(Br)cn1)C1CCNC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL13737314 0.77 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL15990725 0.77 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL13736733 0.77 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL4200838 0.76 MEN1 (0.54) KDM4E
SCHEMBL389750 0.76 SLC6A3 (0.45) KDM4EALDH1A1
SCHEMBL7449557 0.76 CHRNB2 (0.48) KDM4EALDH1A1
SCHEMBL29714884 0.76 CHRNB2 (0.48) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL26187206 0.75 MEN1 (0.57) KDM4E
Hydrochloric Acid SCHEMBL29714883 0.75 CHRNB2 (0.47) KDM4EALDH1A1
SCHEMBL30856730 0.73 ALDH1A1 (0.47) KDM4EALDH1A1

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 KDM4E 2661/4885ALDH1A1 1274/4885HRH3 124/4885

“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.