SCHEMBL318137

SCHEMBL318137

CCOC(=O)N1CCN(C(=O)C(COC(C)(C)C)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.55
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
TGM2 P21980 1/20 0.48
P2RY12 Q9H244 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL318136 1.00 P2RX7 (0.55) P2RX7CTSKCTSLCTSSALDH1A1
SCHEMBL1144126 0.86 P2RX7 (0.57) P2RX7ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL1144124 0.86 P2RX7 (0.57) P2RX7ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL1143803 0.85 SYK (0.60) P2RX7CTSKCTSLCTSSALDH1A1
SCHEMBL1143806 0.85 SYK (0.60) P2RX7CTSKCTSLCTSSALDH1A1
SCHEMBL3334002 0.85 TSHR (0.53) P2RX7CTSKCTSLCTSSALDH1A1
SCHEMBL3333993 0.85 TSHR (0.53) P2RX7CTSKCTSLCTSSALDH1A1
SCHEMBL2538849 0.85 PPARA (0.60) P2RX7CTSSALDH1A1CYP1A2POLB
SCHEMBL2538853 0.85 PPARA (0.60) P2RX7CTSSALDH1A1CYP1A2POLB
SCHEMBL317118 0.84 P2RX7 (0.56) P2RX7P2RY12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 P2RX7 11/4885CTSK 4261/4885CTSL 3275/4885

“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.