SCHEMBL4437356

SCHEMBL4437356

O=C(c1ccc2c(c1)CCNC2)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
PKM P14618 1/20 0.52
HPGD P15428 5/20 0.50
PHGDH O43175 1/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
DNMT1 P26358 1/20 0.46
PTPN7 P35236 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
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
SCHEMBL1075956 0.95 PKM (0.52) F10PKMHPGDPHGDHHSP90AA1
SCHEMBL4529378 0.86 F10 (0.55) F10HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL4233240 0.81 MLYCD (0.49) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL4563662 0.81 ALDH1A1 (0.54) ALDH1A1KMT2A
SCHEMBL15898298 0.80 CRBN (0.55) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL15897866 0.80 CRBN (0.55) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL24976061 0.79 GRM2 (0.42) F10HPGDALDH1A1KMT2APOLB
SCHEMBL31428824 0.79 GRM2 (0.42) F10HPGDALDH1A1KMT2APOLB
SCHEMBL4505128 0.79 L3MBTL1 (0.55) F10ALDH1A1POLBL3MBTL1
SCHEMBL4428553 0.79 L3MBTL3 (0.52) F10ALDH1A1POLBL3MBTL1

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 F10 3162/4885PKM 4120/4885HPGD 786/4885

“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.