SCHEMBL524012

SCHEMBL524012

CCCCOC(=O)N1CCN(C(=O)C(N)Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.52
OPRD1 P41143 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
P2RY12 Q9H244 3/20 0.49
GAA P10253 1/20 0.49
OPRK1 P41145 1/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
AKT1 P31749 3/20 0.47
PLAU P00749 1/20 0.47
PLAUR Q03405 1/20 0.47
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 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
SCHEMBL524011 1.00 HDAC8 (0.52) HDAC8OPRD1TSHRALDH1A1CYP1A2
SCHEMBL2908042 0.89 TSHR (0.63) HDAC8OPRD1TSHRALDH1A1CYP1A2
SCHEMBL30337959 0.89 TSHR (0.63) HDAC8OPRD1TSHRALDH1A1CYP1A2
SCHEMBL3332041 0.85 P2RY12 (0.46) OPRD1TSHRALDH1A1CYP1A2POLB
SCHEMBL3332045 0.85 P2RY12 (0.46) OPRD1TSHRALDH1A1CYP1A2POLB
SCHEMBL951464 0.84 DPP7 (0.46) OPRD1TSHRALDH1A1CYP1A2POLB
SCHEMBL951463 0.84 DPP7 (0.46) OPRD1TSHRALDH1A1CYP1A2POLB
SCHEMBL16466269 0.84 HDAC8 (0.58) HDAC8OPRD1TSHRALDH1A1CYP1A2
SCHEMBL16465214 0.84 HDAC8 (0.58) HDAC8OPRD1TSHRALDH1A1CYP1A2
SCHEMBL28018784 0.84 HDAC8 (0.58) HDAC8OPRD1TSHRALDH1A1CYP1A2

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 HDAC8 3037/4885OPRD1 831/4885TSHR 1000/4885

“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.