SCHEMBL4667335

SCHEMBL4667335

CCC(=O)c1ccc(N2CC[C@H](C(=O)N3CCN(C(C)C)CC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.50
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NOTUM Q6P988 2/20 0.41

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 SCHEMBL4779582 0.99 HRH3 (0.49) HRH3MMP2MMP13KMT2AMEN1
Hydrochloric Acid SCHEMBL4779586 0.99 HRH3 (0.49) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL3858405 0.89 HRH3 (0.61) HRH3MMP2MMP13KMT2AMEN1
Hydrochloric Acid SCHEMBL3857578 0.88 HRH3 (0.60) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL4667322 0.87 MAPT (0.60) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL14290080 0.83 HRH3 (0.53) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL4666772 0.83 HRH3 (0.59) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL4667223 0.81 HRH3 (0.52) HRH3MMP2MMP13ALDH1A1MAPT
SCHEMBL3857687 0.81 HRH3 (0.56) HRH3MMP2MMP13KMT2AMEN1
SCHEMBL4668417 0.81 MAPT (0.55) HRH3MMP2MMP13KMT2AMEN1

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 HRH3 2/4885MMP2 4238/4885MMP13 4780/4885

“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.