SCHEMBL2216282

SCHEMBL2216282

O=C(c1ccc2c(C(C3CCC3)(N3CCCCCC3)N3CCCCCC3)c[nH]c2c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PKM P14618 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
JAK2 O60674 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2217676 0.93 HRH3 (0.47) HRH3RAB9ANPC1LMNAHTT
SCHEMBL2216415 0.88 HRH3 (0.41) HRH3HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL2219934 0.87 HRH3 (0.42) HRH3L3MBTL3L3MBTL1RAB9ALMNA
SCHEMBL2221054 0.85 AVPR1A (0.50) HRH3RAB9ANPC1LMNAHTT
SCHEMBL2218779 0.83 MEN1 (0.50) HTTALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL17443637 0.73 HRH3 (0.56) HRH3PKMALDH1A1HPGD
SCHEMBL17456950 0.73 HPGD (0.59) HRH3HSP90AA1HSP90AB1PKMHTT
SCHEMBL17456924 0.73 HRH3 (0.55) HRH3HSP90AA1HSP90AB1PKMHPGD
SCHEMBL28133023 0.73 HRH3 (0.55) HRH3PKMLMNAALDH1A1HPGD
SCHEMBL2220512 0.71 HRH3 (0.84) HRH3L3MBTL3L3MBTL1

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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US 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

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 HRH3 1/4885HSP90AA1 978/4885HSP90AB1 977/4885

“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.