SCHEMBL4514816

SCHEMBL4514816

CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
NR1H2 P55055 1/20 0.50
NAMPT P43490 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4520156 0.99 ESR2 (0.57) ESR2NR1H2NAMPTL3MBTL3L3MBTL1
SCHEMBL4433008 0.91 ESR2 (0.53) ESR2NR1H2NAMPTL3MBTL3L3MBTL1
SCHEMBL4505068 0.87 ESR2 (0.66) ESR2NR1H2MEN1KMT2AALDH1A1
SCHEMBL4428081 0.85 HDAC6 (0.60) NAMPTL3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL6840190 0.85 ESR2 (0.53) ESR2NR1H2NAMPTMEN1KMT2A
SCHEMBL4430495 0.85 NAMPT (0.53) NAMPTL3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL4247475 0.84 TMEM97 (0.61) ESR2NR1H2NAMPTALDH1A1
SCHEMBL4432752 0.83 NAMPT (0.55) NAMPTL3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL4432769 0.83 HDAC6 (0.60) NAMPTL3MBTL3L3MBTL1HDAC6
SCHEMBL4529449 0.82 HDAC6 (0.67) NAMPTL3MBTL3L3MBTL1KMT2AKDM4E

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 ESR2 1284/4885NR1H2 99/4885NAMPT 1309/4885

“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.