SCHEMBL4668652

SCHEMBL4668652

O=C([C@H]1CCN(c2ccc(C(F)(F)F)nc2)C1)N1CCN(CC2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
CHRM4 P08173 2/20 0.51
NOTUM Q6P988 7/20 0.48
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
DGAT2 Q96PD7 1/20 0.42
CYP3A4 P08684 3/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
USP30 Q70CQ3 1/20 0.40
LCAT P04180 1/20 0.40

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
SCHEMBL4669600 0.84 HRH3 (0.63) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4667186 0.83 HRH3 (0.61) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4666622 0.83 HRH3 (0.83) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4666663 0.82 HRH3 (0.66) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4667296 0.80 HRH3 (0.63) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4668375 0.80 HRH3 (0.63) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4666684 0.80 HRH3 (0.63) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL31647908 0.80 NOTUM (0.67) HRH3CHRM4NOTUMCCNCCDK8
SCHEMBL4668383 0.79 HRH3 (0.90) HRH3CHRM4NOTUMDGAT2
SCHEMBL4668384 0.79 HRH3 (0.90) HRH3CHRM4NOTUMDGAT2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP claimed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US claimed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 HRH3 2/4885CHRM4 329/4885NOTUM 1590/4885

“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.