SCHEMBL4668634

SCHEMBL4668634

CC(C)N1CCN(C(=O)[C@H]2CCN(C(=O)O)C2)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
XPNPEP2 O43895 1/20 0.36
ACE P12821 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL21867124 0.86 HRH3 (0.36) HRH3SMN1; SMN2ALDH1A1
SCHEMBL4668405 0.79 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1TSHRCNR1
SCHEMBL3857098 0.78 CHRNB2 (0.45) HRH3ALDH1A1TSHRHPGDCNR1
SCHEMBL3857094 0.78 CHRNB2 (0.45) HRH3ALDH1A1TSHRHPGDCNR1
SCHEMBL3863795 0.78 HPGD (0.58) HRH3SMN1; SMN2ALDH1A1HPGD
SCHEMBL3867174 0.78 HPGD (0.58) HRH3SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3860651 0.77 CHRNB2 (0.44) HRH3ALDH1A1TSHRCNR1LMNA
Hydrochloric Acid SCHEMBL3860655 0.77 CHRNB2 (0.44) HRH3ALDH1A1TSHRCNR1LMNA
SCHEMBL5195512 0.76 CHRNB2 (0.36) HRH3
SCHEMBL4668416 0.76 CHRNB2 (0.36) HRH3

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 disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 WO 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 2/4885SMN1; SMN2 3501/4885XPNPEP2 2678/4885

“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.