SCHEMBL2492687

SCHEMBL2492687

CN1CCN(c2cc(N3CCc4ccc(N5CCN(C(=O)O)CC5)cc4C3)nc(N)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.61
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
HRH3 Q9Y5N1 2/20 0.44
HTR3A P46098 1/20 0.44
NUDT1 P36639 1/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL3000177 0.92 HRH4 (0.61) HRH4TMEM97SIGMAR1HRH3NUDT1
SCHEMBL3005622 0.87 HRH4 (0.56) HRH4TMEM97SIGMAR1HRH3HTR1A
SCHEMBL3001488 0.86 HRH4 (0.55) HRH4TMEM97SIGMAR1HRH3HTR1A
SCHEMBL3000217 0.84 HRH4 (0.55) HRH4HRH3HTR3ANUDT1
SCHEMBL2514675 0.84 HRH4 (0.55) HRH4TMEM97SIGMAR1HTR1AADRA2A
SCHEMBL2528891 0.83 HRH4 (0.52) HRH4HTR1AHTR1BHTR2AHTR2C
SCHEMBL2513586 0.83 HRH4 (0.67) HRH4HRH3HTR3ANUDT1
SCHEMBL2515391 0.82 HRH4 (0.53) HRH4TMEM97SIGMAR1HRH3HTR3A
SCHEMBL2520827 0.81 HRH4 (0.62) HRH4TMEM97SIGMAR1HRH3HTR3A
SCHEMBL2513528 0.80 HRH4 (0.53) HRH4TMEM97SIGMAR1HRH3NUDT1

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 5 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-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
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 1/4885TMEM97 857/4885SIGMAR1 61/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885TMEM97 857/4885SIGMAR1 61/4885

“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.