SCHEMBL10139009

SCHEMBL10139009

Cc1ccc(C(=O)C2CCCN(C3CCC3)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM2B Q8NHM5 11/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.48
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46

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
SCHEMBL8093410 0.79 SLC18A3 (0.58) SLC18A3MEN1KMT2AALDH1A1LMNA
SCHEMBL10138882 0.78 HRH3 (0.64)
SCHEMBL13103513 0.77 HRH3 (0.69)
SCHEMBL1506940 0.75 HRH3 (0.43) KDM2BLMNA
SCHEMBL599676 0.75 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNA
SCHEMBL599543 0.75 HRH3 (0.55) MEN1KMT2AALDH1A1LMNA
SCHEMBL12031777 0.74 SLC18A3 (1.00) SLC18A3
Oxalic Acid SCHEMBL9980613 0.74 SLC18A3 (0.94) SLC18A3
SCHEMBL9980653 0.73 KMT2A (0.62) SLC18A3MEN1KMT2AALDH1A1LMNA
SCHEMBL21074400 0.72 HRH3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-02 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-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 SLC18A3 115/4885MEN1 1865/4885KMT2A 132/4885

“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.