SCHEMBL4430481

SCHEMBL4430481

O=C(c1ccc2c(c1)CCN(C(=O)c1ccccc1F)C2)N1CCN(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PDE4B Q07343 1/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
NAMPT P43490 3/20 0.52
HTT P42858 1/20 0.50
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4432734 0.99 MEN1 (0.56) MEN1KMT2APDE4BKDM4EALDH1A1
SCHEMBL4429429 0.95 MEN1 (0.54) MEN1KMT2APDE4BKDM4EALDH1A1
SCHEMBL4429355 0.92 MEN1 (0.51) MEN1KMT2APDE4BKDM4EALDH1A1
SCHEMBL4518051 0.88 ALDH1A1 (0.58) KMT2APDE4BKDM4EALDH1A1LMNA
SCHEMBL4428076 0.87 KDM4E (0.64) PDE4BKDM4EALDH1A1NAMPTHTT
SCHEMBL4437411 0.87 ALDH1A1 (0.57) PDE4BKDM4EALDH1A1LMNANAMPT
SCHEMBL4430369 0.87 NAMPT (0.55) MEN1KMT2AKDM4EALDH1A1NAMPT
SCHEMBL4432765 0.87 ALDH1A1 (0.57) KDM4EALDH1A1NAMPTHTTKCNH2
SCHEMBL4439433 0.86 NAMPT (0.64) MEN1KMT2AKDM4EALDH1A1NAMPT
SCHEMBL4438476 0.86 KDM4E (0.66) PDE4BKDM4EALDH1A1NAMPTHTT

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
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
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

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 MEN1 1876/4885KMT2A 153/4885PDE4B 3762/4885

“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.