SCHEMBL4431944

SCHEMBL4431944

O=C(c1ccc(F)cc1)N1CCc2cc(C(=O)N3CCCC3CN3CCCC3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
KCNH2 Q12809 1/20 0.52
HPGD P15428 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALK Q9UM73 2/20 0.44
ENPP2 Q13822 1/20 0.43
MET P08581 3/20 0.43
LMNA P02545 2/20 0.43
NAMPT P43490 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL4431947 1.00 HRH3 (0.52) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL4432721 0.92 SMN1; SMN2 (0.59) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL4432719 0.92 SMN1; SMN2 (0.59) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL4436317 0.91 HRH3 (0.58) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL4436313 0.91 HRH3 (0.58) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL14080884 0.90 HRH3 (0.52) HRH3KCNH2HPGDENPP2MET
SCHEMBL4438670 0.90 HRH3 (0.52) HRH3KCNH2HPGDALDH1A1ENPP2
SCHEMBL4438671 0.90 HRH3 (0.52) HRH3KCNH2HPGDALDH1A1ENPP2
SCHEMBL4429222 0.88 MET (0.52) HRH3KCNH2HPGDALDH1A1SMN1; SMN2
SCHEMBL4430500 0.88 PDE4B (0.53) HRH3KCNH2HPGDLMNA

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 4 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

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 HRH3 1/4885KCNH2 991/4885HPGD 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.