SCHEMBL6326980

SCHEMBL6326980

O=C(O)CC1CC1c1ccc(O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGB6 P18564 2/20 0.43
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
HTR2A P28223 4/20 0.34
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 2/20 0.33
ITGB1 P05556 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL27404166 0.81 HTR2C (0.60) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL6320155 0.80 ITGB3 (0.49) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL6327011 0.74 HTR2A (0.45) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL6320693 0.71 POLB (0.45) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL2432912 0.70 FFAR1 (0.53) HTR2CHTR2BHTR2A
SCHEMBL6251811 0.68 ITGB3 (0.45) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL27270387 0.67 SLC6A12 (0.39) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL6324914 0.67 HTR2A (0.62) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL20595054 0.66 KDM1A (0.45) ITGB3ITGAVITGB6HTR2CHTR2B
SCHEMBL20595049 0.66 KDM1A (0.45) ITGB3ITGAVITGB6HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB6 14/4885

“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.