SCHEMBL2085490

SCHEMBL2085490

O=C1[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.57
CXCR3 P49682 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
DRD4 P21917 9/20 0.51
DRD3 P35462 9/20 0.51
DRD2 P14416 8/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL2086245 0.98 TNF (0.57) TNFCXCR3KMT2AMEN1L3MBTL1
SCHEMBL2088198 0.86 CXCR3 (0.57) TNFCXCR3KMT2AMEN1L3MBTL1
SCHEMBL6612311 0.85 KMT2A (0.53) TNFCXCR3KMT2AMEN1L3MBTL1
SCHEMBL2084450 0.85 CXCR3 (0.73) TNFCXCR3KMT2AMEN1L3MBTL1
SCHEMBL2087058 0.85 CXCR3 (0.69) CXCR3CYP3A4CYP2D6CYP2C9
SCHEMBL2084575 0.84 CXCR3 (0.68) CXCR3CYP3A4CYP2D6CYP2C9
SCHEMBL2087242 0.83 CXCR3 (0.69) CXCR3
SCHEMBL2087910 0.83 CXCR3 (0.69) CXCR3
SCHEMBL6613290 0.81 CCR5 (0.62) TNFCXCR3KMT2AMEN1L3MBTL1
SCHEMBL6613894 0.80 KMT2A (0.49) TNFCXCR3KMT2AMEN1L3MBTL1

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 TNF 982/4885CXCR3 1/4885KMT2A 4167/4885

“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.