SCHEMBL1571864

SCHEMBL1571864

O=C(NC[C@@H]1C[C@@H]2C[C@@H]2N1)c1scc2c1OCCO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTT P42858 4/20 0.51
BAZ2B Q9UIF8 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CHEK1 O14757 2/20 0.33
CHEK2 O96017 2/20 0.33
HTR4 Q13639 1/20 0.30

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
SCHEMBL1572199 0.77 HTR4 (0.50) HTR4
SCHEMBL1339676 0.76 TSHR (0.55) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL1572027 0.68 TSHR (0.47) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL1572026 0.68 TSHR (0.47) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL1571881 0.68 TSHR (0.47) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL1339780 0.67 TSHR (0.46) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL3372732 0.66 BAZ2B (0.58) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL26844606 0.66 BAZ2B (0.61) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL1341232 0.65 BAZ2B (0.65) TSHRHTTBAZ2BALDH1A1GAA
SCHEMBL15778667 0.64 NPSR1 (0.73) TSHRHTTBAZ2BALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 TSHR 515/4885HTT 884/4885BAZ2B 610/4885

“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.