SCHEMBL316668

SCHEMBL316668

CCOC(=O)N1CCN(C(=O)C(CC#N)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.47
CTSS P25774 9/20 0.47
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL316667 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL522884 0.90 CTSK (0.47) CTSKCTSSHRH2HRH1
SCHEMBL522883 0.90 CTSK (0.47) CTSKCTSSHRH2HRH1
SCHEMBL3332100 0.84 CYP1A2 (0.44) CTSLCYP1A2CYP2C9CYP2C19HTT
SCHEMBL3332096 0.84 CYP1A2 (0.44) CTSLCYP1A2CYP2C9CYP2C19HTT
SCHEMBL952832 0.81 SMN1; SMN2 (0.47) CTSKCTSLCYP1A2CYP2C9CYP2C19
SCHEMBL952834 0.81 SMN1; SMN2 (0.47) CTSKCTSLCYP1A2CYP2C9CYP2C19
SCHEMBL20594751 0.81 CTSS (0.57) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2585308 0.80 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTT
SCHEMBL2585311 0.80 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTT

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 CTSK 4261/4885CTSS 4393/4885CTSL 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.