SCHEMBL2543886

SCHEMBL2543886

CN1CCN(c2cc(N3CCc4ccc(C#N)cc4C3)nc(N)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.68
HRH3 Q9Y5N1 3/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2C P18825 1/20 0.61
HTR1D P28221 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR7 P34969 1/20 0.61
NUDT1 P36639 1/20 0.50

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
SCHEMBL2808801 0.85 HRH4 (0.72) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2809069 0.83 HRH4 (0.66) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2493429 0.82 HRH4 (0.73) HRH4HRH3NUDT1
SCHEMBL2805943 0.81 HRH4 (0.67) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL604976 0.81 HRH4 (1.00) HRH4HRH3NUDT1
SCHEMBL2532910 0.80 HRH4 (0.59) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2512846 0.80 HRH4 (0.56) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2513500 0.80 HRH4 (0.56) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2512689 0.79 HRH4 (0.55) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL3478651 0.79 HRH4 (0.71) HRH4HRH3NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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 (2 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885HTR1A 169/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885HTR1A 169/4885

“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.