SCHEMBL2084450

SCHEMBL2084450

CCCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C12CCN(Cc1ccc(Cl)cc1)CC2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.73
TNF P01375 1/20 0.57
CCR5 P51681 15/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL6618147 0.95 CXCR3 (0.70) CXCR3CCR5KMT2A
SCHEMBL2088198 0.89 CXCR3 (0.57) CXCR3TNFCCR5DRD2DRD4
SCHEMBL6610823 0.88 CXCR3 (0.53) CXCR3TNFCCR5L3MBTL1MEN1
SCHEMBL6613915 0.87 CCR5 (0.60) CXCR3CCR5DRD2DRD4DRD3
SCHEMBL6612310 0.87 CXCR3 (0.58) CXCR3TNFCCR5L3MBTL1MEN1
SCHEMBL6613676 0.87 CXCR3 (0.58) CXCR3TNFCCR5DRD2DRD4
SCHEMBL6613290 0.87 CCR5 (0.62) CXCR3TNFCCR5L3MBTL1MEN1
SCHEMBL2085216 0.86 CXCR3 (0.75) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2086961 0.86 CXCR3 (0.81) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6613104 0.86 CCR5 (0.65) CXCR3CCR5DRD2DRD4DRD3

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
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US claimed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP claimed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP 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-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 CXCR3 1/4885TNF 982/4885CCR5 10/4885

“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.