SCHEMBL524203

SCHEMBL524203

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.56
KMT2A Q03164 2/20 0.53
CTSL P07711 2/20 0.52
CAPN1 P07384 2/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
LMNA P02545 1/20 0.51
CMA1 P23946 1/20 0.49
MEN1 O00255 1/20 0.49
P2RX7 Q99572 6/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL524204 1.00 CCR1 (0.56) CCR1KMT2ACTSLCAPN1CTSB
SCHEMBL15534865 0.92 CCR1 (0.61) CCR1KMT2ACTSLCAPN1CTSB
SCHEMBL17292360 0.92 CCR1 (0.61) CCR1KMT2ACTSLCAPN1CTSB
SCHEMBL16466559 0.90 CTSL (0.53) KMT2ACTSLMEN1P2RX7MAPK1
SCHEMBL27145154 0.90 CTSL (0.53) KMT2ACTSLMEN1P2RX7MAPK1
SCHEMBL16465560 0.90 CTSL (0.53) KMT2ACTSLMEN1P2RX7MAPK1
SCHEMBL523865 0.86 PDK1 (0.57) CCR1KMT2ACTSLCAPN1CTSB
SCHEMBL523864 0.86 PDK1 (0.57) CCR1KMT2ACTSLCAPN1CTSB
SCHEMBL4974155 0.86 MAPK1 (0.64) KMT2ACTSLCTSBCTSKLMNA
SCHEMBL16466473 0.85 P2RX7 (0.63) KMT2ACTSLCTSBCTSKP2RX7

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-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
EP-2417128-A2 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 US disclosed
WO-2010116328-A2 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 WO 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 CCR1 2310/4885KMT2A 3240/4885CTSL 3711/4885

“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.