SCHEMBL2214573

SCHEMBL2214573

CN(C)C1CCN(Cc2c[nH]c3cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 6/20 0.52
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
TACR1 P25103 1/20 0.47
TACR3 P29371 1/20 0.47
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12437635 0.95 MEN1 (0.51) MEN1KMT2AHRH3LMNATACR1
SCHEMBL2216390 0.88 HRH3 (0.56) HRH3LMNACYP2D6KDM4E
SCHEMBL2217807 0.88 DRD2 (0.56) HRH3LMNACYP2D6KDM4E
SCHEMBL12437640 0.88 HRH3 (0.56) MEN1KMT2AHRH3LMNAGAA
SCHEMBL2217566 0.86 HRH3 (0.71) MEN1KMT2AHRH3LMNAGAA
SCHEMBL2216427 0.85 HRH3 (0.61) MEN1KMT2AHRH3LMNAGAA
SCHEMBL2218354 0.84 HRH3 (0.69) MEN1KMT2AHRH3LMNAGAA
SCHEMBL2220703 0.84 HRH3 (0.72) MEN1KMT2AHRH3LMNAGAA
SCHEMBL2218575 0.83 HRH3 (0.52) HRH3LMNACYP2D6KDM4E
SCHEMBL2220988 0.83 DRD2 (0.52) HRH3LMNACYP2D6KDM4E

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 9 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 claimed
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN claimed
EP-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
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
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN 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.