SCHEMBL4519212

SCHEMBL4519212

CCCN1CCc2cc(C(=O)N3CCCCC3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.55
ALDH1A1 P00352 4/20 0.55
CNR2 P34972 5/20 0.53
CNR1 P21554 1/20 0.47
KDM2B Q8NHM5 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL4436447 0.88 NAMPT (0.53) HPGDALDH1A1CNR2HRH3
SCHEMBL4438450 0.85 L3MBTL3 (0.50) CNR1KDM2BHRH3
SCHEMBL4563718 0.84 ALDH1A1 (0.57) HPGDALDH1A1CNR2KDM2BLMNA
SCHEMBL4430507 0.84 KDM2B (0.44) HPGDALDH1A1CNR2CNR1KDM2B
SCHEMBL4431752 0.83 KDM2B (0.43) HPGDALDH1A1CNR2CNR1KDM2B
SCHEMBL3604547 0.83 ALDH1A1 (0.49) HPGDALDH1A1KDM2BSMN1; SMN2LMNA
SCHEMBL4430359 0.82 PRMT5 (0.48) HPGDALDH1A1CNR1KDM2B
SCHEMBL8476735 0.81 F10 (0.56) HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL4531405 0.81 HPGD (0.76) HPGDALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3648641 0.81 HRH3 (0.64) HPGDALDH1A1HRH3

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 HPGD 786/4885ALDH1A1 3918/4885CNR2 29/4885

“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.