SCHEMBL4426746

SCHEMBL4426746

COC(=O)c1ccc2c(c1)CCNC2C(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPKAPK2 P49137 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.40
HSD11B1 P28845 1/20 0.39
OPRM1 P35372 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4430327 0.85 KDM4E (0.42) ALDH1A1SMN1; SMN2RAB9ANPSR1HSD11B1
SCHEMBL27969852 0.83 MAPKAPK2 (0.57) MEN1KMT2AMAPKAPK2CHRNB2CHRNA4
SCHEMBL3818749 0.77 MEN1 (0.56) MEN1KMT2AMAPKAPK2CHRNB2CHRNA4
SCHEMBL4437343 0.77 TSHR (0.38) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL4521487 0.75 HDAC6 (0.31) ALDH1A1SMN1; SMN2RAB9ANPSR1OPRM1
SCHEMBL31107143 0.74 KMT2A (0.42) MEN1KMT2AMAPKAPK2CHRNB2CHRNA4
SCHEMBL4529322 0.74 HSD11B1 (0.36) NPC1RAB9AHSD11B1KDM4E
SCHEMBL4520652 0.74 KDM1A (0.45) CHRNB2CHRNA4HDAC6
SCHEMBL4431716 0.73 HDAC6 (0.35) KMT2AALDH1A1SMN1; SMN2RAB9AHSD11B1
SCHEMBL30734291 0.73 MEN1 (0.65) MEN1KMT2ACHRNB2CHRNA4

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 3 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 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 153/4885MAPKAPK2 2251/4885

“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.