SCHEMBL4668325

SCHEMBL4668325

CC(C)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3)C2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PANK3 Q9H999 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TACR3 P29371 2/20 0.41
MEN1 O00255 1/20 0.39
FFAR2 O15552 1/20 0.39
CCR5 P51681 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KDM1A O60341 1/20 0.38

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 SCHEMBL4778841 0.99 NOTUM (0.44) NOTUMCTSSCTSKPDK1PDK2
Hydrochloric Acid SCHEMBL4778837 0.99 NOTUM (0.44) NOTUMCTSSCTSKPDK1PDK2
SCHEMBL3861674 0.95 CTSS (0.46) NOTUMCTSSCTSKPDK1PDK2
SCHEMBL3861680 0.95 CTSS (0.46) NOTUMCTSSCTSKPDK1PDK2
SCHEMBL13683678 0.95 CTSS (0.46) NOTUMCTSSCTSKPDK1PDK2
Hydrochloric Acid SCHEMBL3884968 0.94 CTSS (0.45) NOTUMCTSSCTSKPDK1PDK2
Hydrochloric Acid SCHEMBL3858328 0.94 CTSS (0.45) NOTUMCTSSCTSKPDK1PDK2
Hydrochloric Acid SCHEMBL3858331 0.94 CTSS (0.45) NOTUMCTSSCTSKPDK1PDK2
SCHEMBL4667204 0.85 MAPT (0.52) NOTUMPANK3MEN1
SCHEMBL4666732 0.84 HRH3 (0.51) NOTUMCTSSCTSKPANK3MEN1

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 NOTUM 1590/4885CTSS 1286/4885CTSK 1607/4885

“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.