SCHEMBL524083

SCHEMBL524083

CCCCOC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
SIGMAR1 Q99720 3/20 0.50
POLB P06746 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
P2RY12 Q9H244 2/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CTSK P43235 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
FNTA P49354 1/20 0.38

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
SCHEMBL25313503 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL953403 0.82 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL694784 0.81 POLB (0.44) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL9292445 0.80 SIGMAR1 (0.65) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL3331196 0.79 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL18888501 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL524089 0.79 HRH2 (0.55) POLBSMN1; SMN2LMNAP2RY12MAPT
SCHEMBL524090 0.79 HRH2 (0.55) POLBSMN1; SMN2LMNAP2RY12MAPT
SCHEMBL16466468 0.78 MEN1 (0.49) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL28018778 0.78 MEN1 (0.59) ALDH1A1MEN1KMT2ATSHRSIGMAR1

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 10 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-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP 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-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO 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 (3 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 617/4885MEN1 2608/4885KMT2A 4519/4885
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 ALDH1A1 1662/4885MEN1 4360/4885KMT2A 3240/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 614/4885MEN1 2657/4885KMT2A 4528/4885

“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.