SCHEMBL15329178

SCHEMBL15329178

CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])cc(Cl)c3[nH]2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.70
L3MBTL1 Q9Y468 1/20 0.54
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL604650 0.83 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL6130883 0.79 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL12501380 0.77 APEX1 (0.51) HRH4
SCHEMBL605903 0.77 HRH4 (1.00) HRH4
SCHEMBL604398 0.75 HRH4 (1.00) HRH4HRH3
SCHEMBL12501410 0.75 KMT2A (0.46) HRH4L3MBTL1
SCHEMBL6130894 0.74 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL30309424 0.73 HRH4 (0.59) HRH4L3MBTL1
SCHEMBL12501493 0.72 CDK1 (0.49) L3MBTL1HRH3
Dimethylformamide SCHEMBL28004372 0.72 APEX1 (0.44) HRH4

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
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 EP disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 WO disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 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-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 HRH4 20/4885L3MBTL1 2568/4885HRH1 24/4885

“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.