SCHEMBL3962901

SCHEMBL3962901

Nc1c(Br)cc(CC(=O)C(CN2CCC(c3ccncc3)CC2)C(=O)O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.38
HRH3 Q9Y5N1 4/20 0.36
PRCP P42785 2/20 0.36
NAMPT P43490 1/20 0.36
ACHE P22303 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7161816 0.87 NAMPT (0.38) SLC18A3HRH3PRCPNAMPTACHE
SCHEMBL3962898 0.77 HRH3 (0.38) SLC18A3HRH3PRCPNAMPTACHE
SCHEMBL3962892 0.77 HRH3 (0.38) SLC18A3HRH3PRCPNAMPTACHE
SCHEMBL3960490 0.74 SMYD3 (0.47) LMNA
SCHEMBL6597727 0.73 HRH3 (0.40) SLC18A3HRH3PRCPNAMPTACHE
SCHEMBL4706551 0.66 JAK2 (0.48) HRH3LMNA
SCHEMBL3964152 0.65 SMYD3 (0.49) LMNA
Hydrochloric Acid SCHEMBL9811414 0.64 SIGMAR1 (0.56) SLC18A3HRH3PRCPLMNA
SCHEMBL25698065 0.63 HRH3 (0.48) SLC18A3HRH3ACHELMNA
SCHEMBL31688703 0.62 SLC18A3 (0.58) SLC18A3PRCPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SLC18A3 129/4885HRH3 14/4885PRCP 643/4885

“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.