SCHEMBL1863115

SCHEMBL1863115

CC(C)N1CCN(C(=O)c2cccnc2Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CYP2C19 P33261 1/20 0.55
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 6/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL1976542 0.82 POLB (0.65) POLBCYP2C19LMNAMAPTKMT2A
SCHEMBL5013039 0.82 CYP3A4 (0.56) POLBCYP2C19MAPTKMT2AMEN1
SCHEMBL1865263 0.81 POLB (0.63) POLBCYP2C19LMNAMAPTKMT2A
SCHEMBL27944473 0.80 KMT2A (0.46) POLBLMNACHRNA7KMT2AMEN1
SCHEMBL13149251 0.80 ALDH1A1 (0.68) POLBCYP2C19LMNAKMT2AMEN1
SCHEMBL2002157 0.80 POLB (0.61) POLBCYP2C19LMNAMAPTKMT2A
SCHEMBL13503764 0.80 RAB9A (0.63) POLBCYP2C19LMNACHRNA7KMT2A
SCHEMBL3764825 0.79 POLB (0.61) POLBCYP2C19LMNAMAPTKMT2A
SCHEMBL14459989 0.78 POLB (0.60) POLBCYP2C19LMNAMAPTKMT2A
SCHEMBL855339 0.78 POLB (0.60) POLBCYP2C19LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
EP-1761496-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 EP disclosed
WO-2005097751-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 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 (3 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-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators HRH3, HRH4, HRH1 POLB 4585/4885CYP2C19 1596/4885LMNA 4850/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 POLB 4797/4885CYP2C19 1290/4885LMNA 4765/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 POLB 4797/4885CYP2C19 1290/4885LMNA 4765/4885

“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.