SCHEMBL1865263

SCHEMBL1865263

O=C(c1cccnc1Cl)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
CYP2C19 P33261 1/20 0.57
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 2/20 0.51
HPGD P15428 3/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
FAAH O00519 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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 0.86 POLB (0.65) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL2002157 0.86 POLB (0.61) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL12833234 0.84 RXFP1 (0.63) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL855339 0.84 POLB (0.60) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL30073359 0.84 POLB (0.60) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL13149251 0.83 ALDH1A1 (0.68) POLBCYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL11204339 0.82 HTT (0.50) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3764825 0.82 POLB (0.61) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL3764827 0.81 POLB (0.60) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL1863115 0.81 POLB (0.63) POLBCYP2C19MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP 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 1596/4885MAPT 1536/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 POLB 4797/4885CYP2C19 1290/4885MAPT 1614/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 POLB 4797/4885CYP2C19 1290/4885MAPT 1614/4885

“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.