SCHEMBL4667342

SCHEMBL4667342

Cc1noc(-c2ccc(N3CC[C@H](C(=O)N4CCN(C5CCC5)CC4)C3)cc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.43
KCNH2 Q12809 1/20 0.43
OPRK1 P41145 1/20 0.41
NOTUM Q6P988 2/20 0.40
HCRTR1 O43613 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HCRTR2 O43614 2/20 0.39
NR1H2 P55055 1/20 0.39
HRH3 Q9Y5N1 6/20 0.39
S1PR1 P21453 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 SCHEMBL4668317 0.99 ACKR3 (0.42) ACKR3KCNH2OPRK1NOTUMHCRTR1
SCHEMBL4666681 0.87 HRH3 (0.45) OPRK1NOTUMHCRTR1HCRTR2NR1H2
SCHEMBL4667332 0.86 HRH3 (0.51) OPRK1NOTUMHCRTR1HCRTR2NR1H2
SCHEMBL4777576 0.86 HRH3 (0.42) ALDH1A1HRH3
SCHEMBL4668344 0.86 HRH3 (0.42) ALDH1A1HRH3
SCHEMBL4668265 0.86 HRH3 (0.42) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL4668664 0.85 HRH3 (0.50) OPRK1NOTUMHCRTR1HCRTR2NR1H2
SCHEMBL4667354 0.84 HRH3 (0.44) OPRK1ALDH1A1HRH3
SCHEMBL4666773 0.83 HRH3 (0.41) OPRK1NOTUMALDH1A1HRH3
Hydrochloric Acid SCHEMBL4667218 0.83 HRH3 (0.44) OPRK1ALDH1A1HRH3

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 5 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

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 ACKR3 754/4885KCNH2 1179/4885OPRK1 67/4885

“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.