SCHEMBL4438634

SCHEMBL4438634

O=C(c1cccc(F)c1)N1CCc2cc(C(=O)N3CCN4CCCCC4C3)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.51
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CACNA1H O95180 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
L3MBTL3 Q96JM7 3/20 0.46
POLB P06746 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL4432757 0.91 HTT (0.71) HTTSMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL4437408 0.91 NAMPT (0.55) HTTSMN1; SMN2ALDH1A1HPGDNAMPT
SCHEMBL4430623 0.90 ALDH1A1 (0.53) HTTALDH1A1HPGDNAMPTKDM4E
SCHEMBL4430576 0.90 HTT (0.66) HTTSMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL14080700 0.89 ENPP2 (0.47) HTTSMN1; SMN2ALDH1A1HPGDNAMPT
SCHEMBL4437330 0.89 L3MBTL1 (0.59) HTTALDH1A1NAMPTKDM4ECACNA1H
SCHEMBL4429355 0.87 MEN1 (0.51) SMN1; SMN2ALDH1A1HPGDNAMPTKDM4E
SCHEMBL4523572 0.86 MGLL (0.47) HTTNAMPTCACNA1HL3MBTL1L3MBTL3
SCHEMBL4518846 0.86 PDE4B (0.59) ALDH1A1HPGDKDM4EPOLBHRH3
SCHEMBL4529122 0.86 L3MBTL3 (0.51) HTTALDH1A1NAMPTKDM4EL3MBTL1

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 HTT 300/4885SMN1; SMN2 4327/4885ALDH1A1 3918/4885

“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.