SCHEMBL523558

SCHEMBL523558

CCCCOC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.59
HRH1 P35367 3/20 0.59
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.56
P2RX7 Q99572 8/20 0.55
P2RY12 Q9H244 3/20 0.55
ADORA1 P30542 1/20 0.52
PABPC1 P11940 1/20 0.51

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
SCHEMBL523557 1.00 HRH2 (0.59) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL693690 0.90 P2RX7 (0.57) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL719186 0.90 P2RX7 (0.57) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL3330129 0.88 P2RY12 (0.50) HRH2HRH1P2RX7P2RY12
SCHEMBL3330120 0.88 P2RY12 (0.50) HRH2HRH1P2RX7P2RY12
SCHEMBL16466268 0.88 P2RX7 (0.63) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL20612380 0.88 P2RX7 (0.63) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL16466473 0.88 P2RX7 (0.63) HRH2HRH1KMT2AMAPK1P2RX7
SCHEMBL3330097 0.86 P2RY12 (0.47) HRH2HRH1KMT2AP2RY12
SCHEMBL3330092 0.86 P2RY12 (0.47) HRH2HRH1KMT2AP2RY12

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-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
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

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 HRH2 305/4885HRH1 643/4885KMT2A 3240/4885

“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.