SCHEMBL1721409

SCHEMBL1721409

CC(C)C(O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.51
RAB9A P51151 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PAX8 Q06710 1/20 0.38
P2RX7 Q99572 1/20 0.37
POLQ O75417 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PYGL P06737 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10039365 0.82 NOTUM (0.43) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL27851290 0.79 P2RX7 (0.54) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL7718011 0.79 HTT (0.58) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL20072255 0.79 HTT (0.40) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL14992787 0.79 HTT (0.58) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL195956 0.77 AKR1C3 (0.47) RAB9ACYP2C19CYP1A2CYP2D6HTT
SCHEMBL21725462 0.76 AR (0.39) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL7804287 0.76 RAB9A (0.40) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL11603191 0.76 RAB9A (0.40) PDE2ARAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL15779382 0.75 PDE2A (0.50) PDE2ARAB9ACYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730126-B1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-7244728-B2 Long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-17 US disclosed
EP-1730126-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-13 EP disclosed
WO-2005092870-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO disclosed
US-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases ADRA1D, ADRB2, ADRA1A PDE2A 113/4885RAB9A 1672/4885CYP2C19 707/4885

“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.