SCHEMBL12437635

SCHEMBL12437635

CN(C)C1CCN(Cc2c[nH]c3cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HRH3 Q9Y5N1 6/20 0.49
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL2214573 0.95 MEN1 (0.52) MEN1KMT2AHRH3TACR1TACR3
SCHEMBL2218575 0.89 HRH3 (0.52) HRH3LMNA
SCHEMBL2220988 0.88 DRD2 (0.52) HRH3LMNA
SCHEMBL2219311 0.86 HRH3 (0.64) HRH3LMNASMN1; SMN2ALDH1A1
SCHEMBL2219401 0.85 HRH3 (0.54) HRH3LMNAALDH1A1
SCHEMBL12437640 0.84 HRH3 (0.56) MEN1KMT2AHRH3TACR1TACR3
SCHEMBL2216390 0.83 HRH3 (0.56) HRH3LMNA
SCHEMBL2217566 0.83 HRH3 (0.71) MEN1KMT2AHRH3LMNA
SCHEMBL2217807 0.83 DRD2 (0.56) HRH3LMNA
SCHEMBL2216427 0.82 HRH3 (0.61) MEN1KMT2AHRH3LMNAALDH1A1

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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 MEN1 2767/4885KMT2A 186/4885HRH3 1/4885

“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.