SCHEMBL4599116

SCHEMBL4599116

[CH2]c1ccc2c(n1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
SORT1 Q99523 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL29648993 0.76 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1020718 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL30484407 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL29522031 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL30946643 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3373891 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL13068957 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL2301675 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31494678 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL30484334 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
CN-101228125-A Cathepsin K inhibitors HOFFMANN LA ROCHE (CH) 2008-07-23 CN disclosed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 EP disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF ADRA2A 1604/4885ADRA2B 1006/4885ADRA2C 1816/4885

“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.