SCHEMBL4668375

SCHEMBL4668375

O=C([C@H]1CCN(c2ccc(C(F)(F)F)nc2)C1)N1CCCN(C2CCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.63
NOTUM Q6P988 4/20 0.51
DGAT2 Q96PD7 1/20 0.44
CHRM4 P08173 2/20 0.42
POLB P06746 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL4666684 1.00 HRH3 (0.63) HRH3NOTUMDGAT2CHRM4POLB
SCHEMBL4667296 1.00 HRH3 (0.63) HRH3NOTUMDGAT2CHRM4POLB
Hydrochloric Acid SCHEMBL4668616 0.99 HRH3 (0.62) HRH3NOTUMDGAT2CHRM4POLB
Hydrochloric Acid SCHEMBL4666694 0.99 HRH3 (0.62) HRH3NOTUMDGAT2CHRM4POLB
SCHEMBL4667186 0.97 HRH3 (0.61) HRH3NOTUMDGAT2CHRM4POLB
SCHEMBL3868442 0.95 HRH3 (0.70) HRH3NOTUMCHRM4POLB
Hydrochloric Acid SCHEMBL3868668 0.94 HRH3 (0.69) HRH3NOTUMCHRM4POLB
SCHEMBL3863261 0.92 HRH3 (0.68) HRH3NOTUMCHRM4POLB
Hydrochloric Acid SCHEMBL3862086 0.91 HRH3 (0.67) HRH3NOTUMCHRM4POLB
SCHEMBL14290108 0.89 HRH3 (0.52) HRH3NOTUMCHRM4CCNCCDK8

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 2 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

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 2/4885NOTUM 1590/4885DGAT2 3963/4885

“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.