SCHEMBL4524431

SCHEMBL4524431

O=C(c1ccc2c(c1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
HPGD P15428 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MGLL Q99685 1/20 0.50
HSD11B1 P28845 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4521100 0.91 HPGD (0.60) RXFP1HPGDCA12CA1CA2
SCHEMBL4437349 0.86 KDM4E (0.60) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4430576 0.84 HTT (0.66) HPGDKDM4EHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL4509944 0.84 KDM2B (0.54) HPGDKDM4EMGLLHSD11B1KMT2A
SCHEMBL4437242 0.84 KDM4E (0.66) KDM4EMGLLHSD11B1KMT2AMEN1
SCHEMBL4428076 0.84 KDM4E (0.64) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4431707 0.83 KDM4E (0.57) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4438476 0.83 KDM4E (0.66) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4431774 0.82 L3MBTL1 (0.62) KDM4EMGLLKMT2AMEN1ALDH1A1
SCHEMBL4518664 0.82 HSD11B1 (0.49) KDM4EHSD11B1LMNAALDH1A1HTT

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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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 (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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 RXFP1 984/4885HPGD 786/4885CA12 3382/4885

“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.