SCHEMBL4666700

SCHEMBL4666700

Cc1noc(-c2ccc(N3CC[C@H](C(=O)N4CCCN(C(C)C)CC4)C3)cn2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.56
TBK1 Q9UHD2 2/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL4668345 0.99 HRH3 (0.55) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4667315 0.96 HRH3 (0.50) HRH3TBK1MMP2MMP13
Hydrochloric Acid SCHEMBL4668335 0.95 HRH3 (0.49) HRH3TBK1MMP2MMP13
SCHEMBL4667174 0.89 HRH3 (0.53) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4781842 0.85 HRH3 (0.47) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4666788 0.85 HRH3 (0.47) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4668359 0.85 HRH3 (0.47) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4667332 0.85 HRH3 (0.51) HRH3TBK1MMP2MMP13NOTUM
SCHEMBL4667354 0.85 HRH3 (0.44) HRH3POLB
Hydrochloric Acid SCHEMBL4668584 0.84 HRH3 (0.46) HRH3TBK1MMP2MMP13NOTUM

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-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
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 2/4885TBK1 3106/4885MMP2 4238/4885

“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.